In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 29th, 2009 | 36 | 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) | 5.67 | 12.45 | -26.72 | 1 | 8 | 0 | 94 | 529.062 | 10 | ↓ |
Hi High (pH 8-9.5) | 5.86 | 11.22 | -61.14 | 0 | 8 | -1 | 100 | 528.054 | 10 | ↓ |