| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 29th, 2007 | 33 | No |
| 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) | -5.70 | -19.18 | -298.3 | 19 | 15 | 4 | 289 | 488.535 | 6 | ↓ |
| Hi High (pH 8-9.5) | -5.70 | -19.84 | -122.57 | 17 | 15 | 2 | 286 | 486.519 | 6 | ↓ |
| Hi High (pH 8-9.5) | -5.70 | -19.96 | -107.81 | 17 | 15 | 2 | 286 | 486.519 | 6 | ↓ |
| Mid Mid (pH 6-8) | -5.70 | -19.61 | -209.68 | 18 | 15 | 3 | 287 | 487.527 | 6 | ↓ |
