| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 28th, 2009 | 29 | Yes |
| 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) | 1.08 | 0.09 | -46.97 | 3 | 10 | -1 | 170 | 401.303 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.08 | 0.86 | -98.24 | 2 | 10 | -2 | 173 | 400.295 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.08 | 0.1 | -55.07 | 3 | 10 | -1 | 170 | 401.303 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.08 | -0.67 | -17.03 | 4 | 10 | 0 | 168 | 402.311 | 2 | ↓ |
