| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 26th, 2007 | 32 | 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 | 9.07 | -9.12 | 2 | 5 | 0 | 101 | 427.458 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.61 | 4.25 | -111.62 | 3 | 5 | 2 | 101 | 429.474 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.52 | 11.36 | -48.68 | 3 | 5 | 1 | 102 | 428.466 | 3 | ↓ |
