In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 20th, 2010 | 18 | 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) | 3.39 | 9.74 | -6.23 | 0 | 3 | 0 | 29 | 241.338 | 1 | ↓ |
Mid Mid (pH 6-8) | 3.39 | 10.2 | -28.09 | 1 | 3 | 1 | 30 | 242.346 | 1 | ↓ |