In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 23rd, 2009 | 12 | 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) | -0.16 | -1.05 | -9.66 | 3 | 5 | 0 | 85 | 250.077 | 2 | ↓ |
Mid Mid (pH 6-8) | 0.02 | -2.12 | -37.16 | 2 | 5 | -1 | 91 | 249.069 | 2 | ↓ |