In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2008 | 21 | Yes |
Popular Name: N-[(4-ethylphenyl)methyl]-2-([1,2,4]triazolo[4,5-a]pyridin-3-yl)ethanamine N-[(4-ethylphenyl)methyl]-2-([1,…
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) | 3.15 | 9.34 | -12.95 | 1 | 4 | 0 | 42 | 280.375 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.15 | 10.77 | -58.34 | 2 | 4 | 1 | 47 | 281.383 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.