| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 17th, 2009 | 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) | 4.11 | 11.66 | -53.51 | 1 | 7 | 0 | 87 | 454.567 | 12 | ↓ |
| Hi High (pH 8-9.5) | 4.11 | 9.36 | -45.73 | 0 | 7 | -1 | 86 | 453.559 | 12 | ↓ |
| Lo Low (pH 4.5-6) | 4.11 | 10.53 | -47.67 | 2 | 7 | 1 | 84 | 455.575 | 12 | ↓ |
