In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 17th, 2010 | 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) | 1.41 | 6.12 | -44.89 | 2 | 4 | 1 | 46 | 249.334 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.41 | 4.75 | -9.01 | 1 | 4 | 0 | 42 | 248.326 | 3 | ↓ |