In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 15th, 2011 | 29 | Yes |
Popular Name: 2-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]quinoline-4-carboxylic 2-[1-[(4-fluorophenyl)methyl]-4,…
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) | 3.60 | 12.28 | -43.39 | 1 | 6 | 0 | 75 | 388.402 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.60 | 11.91 | -48.98 | 0 | 6 | -1 | 74 | 387.394 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.