In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 18th, 2010 | 15 | 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) | 3.03 | 4.96 | -33.34 | 2 | 2 | 1 | 20 | 211.373 | 1 | ↓ |
Mid Mid (pH 6-8) | 3.03 | 5.53 | -26.93 | 2 | 2 | 1 | 16 | 211.373 | 1 | ↓ |