| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 1st, 2008 | 17 | 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) | 0.25 | 5.97 | -49.2 | 2 | 7 | 1 | 91 | 241.271 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.25 | 2.69 | -16.45 | 1 | 7 | 0 | 87 | 240.263 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.25 | 6.45 | -91.89 | 3 | 7 | 2 | 92 | 242.279 | 5 | ↓ |
