| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 1st, 2007 | 30 | 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) | 3.52 | 10.51 | -72.91 | 1 | 6 | 0 | 74 | 428.916 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.52 | 7.96 | -55.88 | 0 | 6 | -1 | 73 | 427.908 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.94 | 0.96 | -48.08 | 1 | 6 | 1 | 68 | 429.924 | 7 | ↓ |
