In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 29th, 2009 | 27 | 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) | 4.37 | 7.91 | -40.44 | 0 | 6 | -1 | 79 | 425.918 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.37 | 7.84 | -17.56 | 1 | 6 | 0 | 77 | 426.926 | 4 | ↓ |