In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 29th, 2009 | 35 | 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) | 2.80 | 9.56 | -20.06 | 0 | 8 | 0 | 71 | 473.577 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.80 | 11.8 | -57.9 | 1 | 8 | 1 | 72 | 474.585 | 6 | ↓ |