| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 18th, 2009 | 30 | 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) | 1.82 | 9.74 | -70.71 | 1 | 7 | 0 | 87 | 407.47 | 9 | ↓ |
| Hi High (pH 8-9.5) | 1.82 | 7.2 | -50.35 | 0 | 7 | -1 | 86 | 406.462 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 1.82 | 8.44 | -60.21 | 2 | 7 | 1 | 84 | 408.478 | 9 | ↓ |
