In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 21st, 2009 | 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) | 1.54 | 9.93 | -20.93 | 0 | 9 | 0 | 82 | 480.613 | 8 | ↓ |
Mid Mid (pH 6-8) | 1.54 | 12.15 | -52.73 | 1 | 9 | 1 | 83 | 481.621 | 8 | ↓ |