In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 17th, 2009 | 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) | -0.33 | 8.78 | -56.96 | 2 | 11 | 1 | 126 | 417.446 | 9 | ↓ |
Hi High (pH 8-9.5) | -0.33 | 6.37 | -18.56 | 1 | 11 | 0 | 124 | 416.438 | 9 | ↓ |