| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 11th, 2009 | 30 | 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) | 2.95 | 9.44 | -50.22 | 1 | 7 | 0 | 83 | 428.872 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.95 | 6.91 | -37.45 | 0 | 7 | -1 | 82 | 427.864 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.95 | 8.31 | -53.94 | 2 | 7 | 1 | 81 | 429.88 | 6 | ↓ |
