In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 19th, 2009 | 13 | 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) | 1.13 | 4.95 | -10.23 | 1 | 3 | 0 | 61 | 175.187 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.13 | 5.8 | -48.68 | 0 | 3 | -1 | 64 | 174.179 | 3 | ↓ |