In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 27th, 2014 | 21 | No |
Popular Name: 4-[3-(pyridin-3-yl)-(1h)-pyrazol-4-yl]quinoline 4-[3-(pyridin-3-yl)-(1h)-pyrazol…
Find On: PubMed — Wikipedia — Google
CAS Number: 849924-96-5
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) | 2.22 | 5.03 | -9.28 | 0 | 4 | 0 | 51 | 272.311 | 2 | ↓ |
Lo Low (pH 4.5-6) | 2.22 | 5.47 | -37.57 | 1 | 4 | 1 | 52 | 273.319 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.