In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 14th, 2010 | 29 | 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) | 4.46 | 7.19 | -11.52 | 2 | 6 | 0 | 78 | 476.758 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.46 | 7.96 | -45.8 | 1 | 6 | -1 | 81 | 475.75 | 6 | ↓ |