| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 9th, 2011 | 24 | Yes |
Popular Name: N,N-dimethyl-2-[[4-(o-tolyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamine N,N-dimethyl-2-[[4-(o-tolyl)-5-(…
| 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) | 3.34 | 11.78 | -42.47 | 1 | 5 | 1 | 48 | 340.476 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.34 | 9.31 | -10.45 | 0 | 5 | 0 | 47 | 339.468 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
