| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2004 | 21 | No |
| 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) | 3.18 | 5.05 | -11.72 | 2 | 7 | 0 | 113 | 289.243 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.18 | 6.05 | -47.84 | 1 | 7 | -1 | 115 | 288.235 | 5 | ↓ |
