| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 12th, 2009 | 34 | 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) | 4.32 | 11.96 | -67.99 | 1 | 7 | 0 | 87 | 468.594 | 12 | ↓ |
| Hi High (pH 8-9.5) | 4.32 | 9.68 | -58.42 | 0 | 7 | -1 | 86 | 467.586 | 12 | ↓ |
| Lo Low (pH 4.5-6) | 4.32 | 11.14 | -45.33 | 2 | 7 | 1 | 84 | 469.602 | 12 | ↓ |
