In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 14th, 2011 | 25 | Yes |
Popular Name: 1-[6-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-3-pyridyl]ethanone 1-[6-[1-[(4-fluorophenyl)methyl]…
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) | 2.45 | 9.8 | -13.2 | 0 | 5 | 0 | 51 | 336.37 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.45 | 10.19 | -44.23 | 1 | 5 | 1 | 52 | 337.378 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.