| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 16th, 2007 | 32 | 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) | 3.49 | 11.92 | -75.95 | 1 | 6 | 0 | 78 | 455.624 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.91 | 0.67 | -47.3 | 1 | 6 | 1 | 71 | 456.632 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.94 | 11.18 | -46.85 | 2 | 6 | 1 | 75 | 456.632 | 7 | ↓ |
