In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 21st, 2010 | 19 | Yes |
Popular Name: 2-(5-methyl-2-thienyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide 2-(5-methyl-2-thienyl)-N-([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) | 2.19 | 10.1 | -25.3 | 1 | 5 | 0 | 59 | 272.333 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.38 | 8.58 | -57.47 | 0 | 5 | -1 | 66 | 271.325 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.