| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 11th, 2010 | 33 | 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) | 3.62 | 10.61 | -17.3 | 0 | 6 | 0 | 50 | 444.51 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.62 | 12.83 | -56.05 | 1 | 6 | 1 | 51 | 445.518 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.62 | 11.01 | -34.59 | 1 | 6 | 1 | 51 | 445.518 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.62 | 13.2 | -108.56 | 2 | 6 | 2 | 53 | 446.526 | 5 | ↓ |
