In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 13th, 2009 | 25 | Yes |
Popular Name: 2-(6-methyl-2-pyridyl)-3-(4-methylsulfonylphenyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole 2-(6-methyl-2-pyridyl)-3-(4-meth…
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) | 2.11 | 7.12 | -19.26 | 0 | 5 | 0 | 65 | 353.447 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.11 | 7.3 | -33.96 | 1 | 5 | 1 | 66 | 354.455 | 3 | ↓ |