| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 2nd, 2006 | 27 | No |
Popular Name: 3-[(5-benzylsulfanyl-2H-1,2,4-triazol-3-yl)amino]-5-phenyl-cyclohex-2-en-1-one 3-[(5-benzylsulfanyl-2H-1,2,4-tr…
| 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) | 4.35 | 13.52 | -38.2 | 1 | 5 | -1 | 69 | 375.477 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 4.35 | 13.72 | -9.94 | 2 | 5 | 0 | 71 | 376.485 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 4.35 | 14.05 | -11.15 | 2 | 5 | 0 | 71 | 376.485 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![3-[[3-(benzylthio)-1H-1,2,4-triazol-5-yl]amino]-5-phenyl-cyclohex-2-en-1-one](http://zinc12.docking.org/img/rings/248813.gif)