In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 14th, 2011 | 26 | Yes |
Popular Name: 2-(benzotriazol-2-yl)-1-[4-hydroxy-4-(5-methyl-2-pyridyl)-1-piperidyl]ethanone 2-(benzotriazol-2-yl)-1-[4-hydro…
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) | 1.69 | 4.73 | -19.19 | 1 | 7 | 0 | 84 | 351.41 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.69 | 5.25 | -48.56 | 2 | 7 | 1 | 85 | 352.418 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.