In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 1st, 2009 | 25 | No |
Popular Name: (3S)-3-[[(1S,2S,3S)-2,3-dimethylcyclohexyl]amino]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione (3S)-3-[[(1S,2S,3S)-2,3-dimethyl…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 2.94 | 8.42 | -51.25 | 2 | 5 | 1 | 63 | 345.463 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.94 | 7.66 | -9.16 | 1 | 5 | 0 | 59 | 344.455 | 5 | ↓ |