| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 25th, 2004 | 32 | 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) | 3.57 | 9.55 | -14.89 | 2 | 6 | 0 | 80 | 453.539 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.75 | 7.68 | -47.8 | 1 | 6 | -1 | 87 | 452.531 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.57 | 10.02 | -51.66 | 3 | 6 | 1 | 82 | 454.547 | 7 | ↓ |
