In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 3rd, 2008 | 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) | 0.82 | 0.5 | -26.73 | 2 | 11 | 0 | 156 | 456.502 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.82 | 0.12 | -57.44 | 1 | 11 | -1 | 158 | 455.494 | 6 | ↓ |