In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2008 | 15 | 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) | -0.09 | 2.72 | -49.41 | 3 | 4 | 1 | 49 | 212.317 | 1 | ↓ |
Mid Mid (pH 6-8) | -0.09 | 1.57 | -35.14 | 3 | 4 | 1 | 46 | 212.317 | 1 | ↓ |
Lo Low (pH 4.5-6) | -0.09 | 2.96 | -116.65 | 4 | 4 | 2 | 50 | 213.325 | 1 | ↓ |