| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 29th, 2007 | 35 | 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) | 4.21 | 13.1 | -77.39 | 1 | 7 | 0 | 82 | 474.605 | 8 | ↓ |
| Mid Mid (pH 6-8) | 4.65 | 14.21 | -44.84 | 2 | 7 | 1 | 79 | 475.613 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.63 | 14.18 | -53.51 | 1 | 7 | 1 | 76 | 475.613 | 8 | ↓ |
| Mid Mid (pH 6-8) | 4.21 | 14.09 | -83.09 | 3 | 7 | 2 | 81 | 476.621 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.63 | 14.6 | -82.99 | 2 | 7 | 2 | 77 | 476.621 | 8 | ↓ |
