In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 19th, 2010 | 20 | Yes |
Popular Name: 4-bromo-2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide 4-bromo-2-methyl-N-([1,2,4]triaz…
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) | 3.16 | 10.77 | -20.73 | 1 | 5 | 0 | 59 | 331.173 | 2 | ↓ |
Hi High (pH 8-9.5) | 3.23 | 9.98 | -56.32 | 0 | 5 | -1 | 66 | 330.165 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.