| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 17th, 2008 | 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) | 3.02 | 10.89 | -71.18 | 1 | 8 | 0 | 111 | 429.498 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.02 | 8.59 | -54.64 | 0 | 8 | -1 | 109 | 428.49 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 3.02 | 10.07 | -57.69 | 2 | 8 | 1 | 108 | 430.506 | 9 | ↓ |
