In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 28th, 2010 | 16 | 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) | 0.50 | 5.52 | -81.63 | 4 | 5 | 1 | 83 | 224.284 | 7 | ↓ |
Mid Mid (pH 6-8) | 0.50 | 5.16 | -62.37 | 3 | 5 | 0 | 82 | 223.276 | 7 | ↓ |