| 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) | 3.69 | 10.94 | -12.89 | 2 | 8 | 0 | 94 | 444.52 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.86 | 10.57 | -43.58 | 1 | 8 | -1 | 96 | 443.512 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.69 | 11.24 | -41.3 | 3 | 8 | 1 | 95 | 445.528 | 5 | ↓ |
