In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 14th, 2010 | 34 | 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) | 5.09 | 9.09 | -12.89 | 2 | 7 | 0 | 88 | 481.98 | 10 | ↓ |
Mid Mid (pH 6-8) | 5.09 | 9.86 | -48.04 | 1 | 7 | -1 | 91 | 480.972 | 10 | ↓ |