In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 12th, 2011 | 50 | No |
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) | 5.51 | 15.37 | -50.93 | 5 | 12 | 1 | 183 | 684.718 | 17 | ↓ |
Hi High (pH 8-9.5) | 5.51 | 14.96 | -25.73 | 4 | 12 | 0 | 178 | 683.71 | 17 | ↓ |