In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 19th, 2009 | 20 | 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) | 0.72 | 3.16 | -55.75 | 5 | 5 | 1 | 82 | 271.344 | 6 | ↓ |
Mid Mid (pH 6-8) | 0.72 | 3.63 | -97.93 | 6 | 5 | 2 | 83 | 272.352 | 6 | ↓ |