| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2005 | 26 | 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) | 2.38 | 10.23 | -10.54 | 2 | 7 | 0 | 85 | 366.812 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.56 | 9.6 | -42.21 | 1 | 7 | -1 | 86 | 365.804 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.38 | -1.25 | -46.54 | 3 | 7 | 1 | 85 | 367.82 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.56 | 10.28 | -57.88 | 3 | 7 | 1 | 89 | 367.82 | 3 | ↓ |
