| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 26th, 2011 | 19 | Yes |
Popular Name: 2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethyl-ethanamine 2-[[4-ethyl-5-(4-pyridyl)-1,2,4-…
None
None
| 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) | 1.61 | 8.45 | -43.88 | 1 | 5 | 1 | 48 | 278.405 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.61 | 5.99 | -10.4 | 0 | 5 | 0 | 47 | 277.397 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
