| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 23rd, 2006 | 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) | 3.24 | 14.37 | -21.58 | 1 | 7 | 0 | 85 | 412.428 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.24 | 14.58 | -50.37 | 1 | 7 | -1 | 86 | 411.42 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.24 | 14.86 | -15.87 | 2 | 7 | 0 | 88 | 412.428 | 4 | ↓ |
