# NMR Prediction for compounds at variable pH values

Like the title says, I'm looking for any software package that may be able to simulate a variety of NMR at a variety of different pHs. The majority of the software programs that I've found do not have an option that also incorporates a pH specification.

Any advice is appreciated, I found a few prior threads on the topic, however they were all 2+ years old so I was curious if there were any advances.

• What compounds are you interested in? And by simulation, you mean $\mathrm{^1H}$ chemical shifts? – Buck Thorn Mar 5 at 20:15