In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 15th, 2010 | 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) | 4.38 | 12.96 | -154.94 | 4 | 6 | 3 | 69 | 498.091 | 9 | ↓ |
Hi High (pH 8-9.5) | 4.38 | 10.92 | -75.02 | 3 | 6 | 2 | 68 | 497.083 | 9 | ↓ |