| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 9th, 2010 | 30 | 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) | 3.51 | 11.77 | -48.77 | 2 | 5 | 1 | 53 | 405.566 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.51 | 10.67 | -7.41 | 1 | 5 | 0 | 48 | 404.558 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.51 | 12.12 | -113.21 | 3 | 5 | 2 | 54 | 406.574 | 3 | ↓ |
