| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 3rd, 2007 | 27 | 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) | 2.51 | 9.91 | -12.69 | 2 | 7 | 0 | 85 | 378.461 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.68 | 9.85 | -42.41 | 1 | 7 | -1 | 86 | 377.453 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.68 | -1.54 | -38.51 | 3 | 7 | 1 | 89 | 379.469 | 4 | ↓ |
