In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 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) | 0.42 | 3.21 | -41.06 | 2 | 3 | 1 | 48 | 183.275 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.42 | 1.41 | -9.08 | 1 | 3 | 0 | 47 | 182.267 | 3 | ↓ |