| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 22nd, 2008 | 32 | Yes |
None
| 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) | 4.10 | 13.12 | -120.96 | 3 | 5 | 2 | 41 | 442.692 | 9 | ↓ |
| Hi High (pH 8-9.5) | 4.10 | 11.43 | -39.72 | 2 | 5 | 1 | 40 | 441.684 | 9 | ↓ |
| Hi High (pH 8-9.5) | 4.10 | 10.93 | -46.34 | 2 | 5 | 1 | 40 | 441.684 | 9 | ↓ |
| Mid Mid (pH 6-8) | 4.10 | 13.37 | -100 | 3 | 5 | 2 | 41 | 442.692 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 4.10 | 15.49 | -212.01 | 4 | 5 | 3 | 42 | 443.7 | 9 | ↓ |
