| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 15 | Yes |
Popular Name: Trans-4-propylcyclohexylbenzene Trans-4-propylcyclohexylbenzene
Find On: PubMed — Wikipedia — Google
CAS Numbers: 177533-41-4 , 61203-94-9
4-amino-5-(4-ethoxyphenyl)-4H-[1,2,4]TRIAZOLE-3-thiol
| 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) | 5.32 | 10.31 | -1.23 | 0 | 0 | 0 | 0 | 202.341 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0104327A2; EP0295602A1; US4393258; US4400293; US4627933; US4705870; US4705905; US4713468; US4726910; US4820878; US4834905; US4839091; US6074708; WO2000075202A1 | IBM Patent Data |
| PUBCHEM_PATENT_ID | US5370819 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.