| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 18 | No |
Popular Name: 4-[(1S)-1-hydroxy-2-(1,4-thiazepan-4-yl)ethyl]benzonitrile 4-[(1S)-1-hydroxy-2-(1,4-thiazep…
| 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) | 1.57 | 6.81 | -48.7 | 2 | 3 | 1 | 48 | 263.386 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.57 | 4.86 | -7.88 | 1 | 3 | 0 | 47 | 262.378 | 3 | ↓ |
