In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 18th, 2009 | 30 | 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) | 1.44 | 3.85 | -13.48 | 1 | 7 | 0 | 71 | 426.529 | 11 | ↓ |
Mid Mid (pH 6-8) | 1.44 | 6.21 | -49.46 | 2 | 7 | 1 | 73 | 427.537 | 11 | ↓ |