| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 25th, 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) | 3.14 | 10.96 | -68.96 | 1 | 9 | 0 | 120 | 453.495 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.14 | 8.43 | -52.64 | 0 | 9 | -1 | 119 | 452.487 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.56 | 1.83 | -55.17 | 1 | 9 | 1 | 113 | 454.503 | 9 | ↓ |
