| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 15th, 2010 | 31 | 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) | 5.10 | 9.63 | -10.12 | 2 | 6 | 0 | 78 | 417.509 | 7 | ↓ |
| Hi High (pH 8-9.5) | 4.87 | 9.86 | -53.49 | 0 | 6 | -1 | 77 | 416.501 | 7 | ↓ |
| Hi High (pH 8-9.5) | 4.87 | 10.04 | -44.7 | 0 | 6 | -1 | 77 | 416.501 | 7 | ↓ |
| Hi High (pH 8-9.5) | 5.10 | 10.53 | -47.21 | 1 | 6 | -1 | 81 | 416.501 | 7 | ↓ |
