In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 15th, 2011 | 21 | Yes |
Popular Name: 1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)-4-ethyl-piperidine-4-carboxylic 1-(2,4-dimethyl-3,5-dioxo-1,2,4-…
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) | -0.25 | 5.77 | -46.47 | 0 | 8 | -1 | 100 | 295.319 | 3 | ↓ |
Lo Low (pH 4.5-6) | -0.25 | 3.96 | -9.39 | 1 | 8 | 0 | 97 | 296.327 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.