In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 14th, 2008 | 11 | Yes |
None
None
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) | -0.02 | 4.15 | -47.29 | 3 | 3 | 1 | 45 | 154.237 | 3 | ↓ |
Mid Mid (pH 6-8) | -0.02 | 4.66 | -102.48 | 4 | 3 | 2 | 47 | 155.245 | 3 | ↓ |