In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 19th, 2011 | 30 | Yes |
Popular Name: 1-[[4-(benzotriazol-1-yl)-1-piperidyl]methyl]-4-oxo-quinolizine-3-carboxylic 1-[[4-(benzotriazol-1-yl)-1-pipe…
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 | 11.87 | -110.02 | 1 | 8 | 0 | 97 | 403.442 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.45 | 9.61 | -86.36 | 0 | 8 | -1 | 96 | 402.434 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.