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) | 1.72 | 5.66 | -50.46 | 2 | 4 | 1 | 44 | 246.334 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.72 | 4.29 | -11.08 | 1 | 4 | 0 | 39 | 245.326 | 3 | ↓ |