In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 13th, 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) | -0.01 | 4.44 | -44.76 | 3 | 4 | 1 | 57 | 195.29 | 5 | ↓ |
Mid Mid (pH 6-8) | -0.01 | 4.94 | -88.1 | 4 | 4 | 2 | 58 | 196.298 | 5 | ↓ |