In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 19th, 2009 | 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) | 6.66 | 13.37 | -16.69 | 2 | 6 | 0 | 84 | 505.043 | 8 | ↓ |
Hi High (pH 8-9.5) | 6.84 | 12.32 | -40.81 | 1 | 6 | -1 | 90 | 504.035 | 8 | ↓ |