In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 17th, 2009 | 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) | 3.94 | 6.94 | -53.02 | 2 | 8 | 1 | 85 | 474.994 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.94 | 4.58 | -13.35 | 1 | 8 | 0 | 84 | 473.986 | 7 | ↓ |