In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 17th, 2010 | 14 | 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) | 2.53 | 4.44 | -33.39 | 2 | 2 | 1 | 20 | 197.346 | 1 | ↓ |
Mid Mid (pH 6-8) | 2.53 | 4.98 | -26.55 | 2 | 2 | 1 | 16 | 197.346 | 1 | ↓ |