| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 7th, 2008 | 33 | 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) | 4.00 | 8.63 | -12.96 | 2 | 7 | 0 | 119 | 445.567 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.09 | 9.84 | -115.76 | 3 | 7 | 2 | 120 | 447.583 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 4.00 | 8.47 | -51.97 | 3 | 7 | 1 | 121 | 446.575 | 7 | ↓ |
