In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 10th, 2011 | 27 | Yes |
Popular Name: N-[(2-ethoxyphenyl)methyl]-N'-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanediamide N-[(2-ethoxyphenyl)methyl]-N'-([…
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) | 1.87 | 8.53 | -16.27 | 2 | 8 | 0 | 101 | 367.409 | 7 | ↓ |
Hi High (pH 8-9.5) | 1.88 | 8.09 | -63.05 | 1 | 8 | -1 | 104 | 366.401 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.