In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 11th, 2009 | 18 | 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) | 2.68 | 8.79 | -69.75 | 1 | 4 | 0 | 54 | 249.31 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.68 | 6.64 | -48.02 | 0 | 4 | -1 | 53 | 248.302 | 7 | ↓ |