| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 22nd, 2006 | 29 | 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) | 3.05 | 4.14 | -16.52 | 3 | 7 | 0 | 99 | 393.443 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.05 | 4.9 | -57.17 | 2 | 7 | -1 | 102 | 392.435 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.05 | 5.1 | -46.84 | 2 | 7 | -1 | 102 | 392.435 | 7 | ↓ |
