In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 4th, 2011 | 26 | Yes |
Popular Name: 2-[[4-[2-(2-hydroxyethyl)pyrazol-3-yl]-1-piperidyl]methyl]indolizine-1-carbonitrile 2-[[4-[2-(2-hydroxyethyl)pyrazol…
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) | 1.50 | 8.78 | -52.14 | 2 | 6 | 1 | 71 | 350.446 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.50 | 6.53 | -14.84 | 1 | 6 | 0 | 69 | 349.438 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.