In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 25th, 2011 | 25 | Yes |
Popular Name: N-(2-dimethylaminoethyl)-N-phenethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide N-(2-dimethylaminoethyl)-N-phene…
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) | 1.52 | 12.38 | -52.88 | 1 | 6 | 1 | 55 | 338.435 | 7 | ↓ |
Hi High (pH 8-9.5) | 1.52 | 9.96 | -12.84 | 0 | 6 | 0 | 54 | 337.427 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.