| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 17th, 2007 | 30 | Yes |
| 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) | 1.23 | 8.44 | -21.73 | 2 | 9 | 0 | 115 | 443.558 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.42 | 7.24 | -51.69 | 1 | 9 | -1 | 121 | 442.55 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 1.49 | 4.53 | -42.15 | 3 | 9 | 1 | 123 | 444.566 | 8 | ↓ |
