In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 13th, 2009 | 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) | 6.50 | 14.35 | -11.05 | 1 | 4 | 0 | 45 | 532.153 | 12 | ↓ |
Mid Mid (pH 6-8) | 6.50 | 15.73 | -51.8 | 2 | 4 | 1 | 46 | 533.161 | 12 | ↓ |