| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 9th, 2011 | 24 | Yes |
Popular Name: 2-[[4-(2-methoxyphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethyl-ethanamine 2-[[4-(2-methoxyphenyl)-5-(2-thi…
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| 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) | 3.80 | 11.51 | -44.04 | 1 | 5 | 1 | 44 | 361.516 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.80 | 9.04 | -13.84 | 0 | 5 | 0 | 43 | 360.508 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
