In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 15th, 2010 | 32 | 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) | 5.89 | 9.66 | -9.54 | 2 | 6 | 0 | 78 | 451.954 | 8 | ↓ |
Mid Mid (pH 6-8) | 5.89 | 10.42 | -47.57 | 1 | 6 | -1 | 81 | 450.946 | 8 | ↓ |