| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 14th, 2010 | 13 | Yes |
Popular Name: (3S)-3-hydroxy-2,2-dimethyl-3-(4-pyridyl)propanenitrile (3S)-3-hydroxy-2,2-dimethyl-3-(4…
| 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) | 0.78 | 2.36 | -9.11 | 1 | 3 | 0 | 57 | 176.219 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.78 | 2.82 | -45.51 | 2 | 3 | 1 | 58 | 177.227 | 2 | ↓ |
