In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 2nd, 2010 | 37 | 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) | 5.34 | 15.35 | -16.66 | 1 | 6 | 0 | 67 | 496.655 | 9 | ↓ |
Mid Mid (pH 6-8) | 5.34 | 15.71 | -37.21 | 2 | 6 | 1 | 68 | 497.663 | 9 | ↓ |