In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 22nd, 2010 | 12 | 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) | -0.02 | 2.89 | -51.72 | 2 | 4 | 1 | 57 | 170.236 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.17 | 0.95 | -36.82 | 1 | 4 | 0 | 64 | 169.228 | 4 | ↓ |