| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2009 | 28 | 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) | 4.54 | 10.12 | -9.9 | 2 | 5 | 0 | 56 | 378.52 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.54 | 9.36 | -26.52 | 3 | 5 | 1 | 57 | 379.528 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 4.54 | 11.29 | -90.93 | 4 | 5 | 2 | 58 | 380.536 | 4 | ↓ |
