In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 2nd, 2010 | 35 | 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) | 4.01 | 12.1 | -20.74 | 1 | 7 | 0 | 78 | 470.573 | 11 | ↓ |
Mid Mid (pH 6-8) | 4.01 | 12.39 | -45.02 | 2 | 7 | 1 | 80 | 471.581 | 11 | ↓ |