| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 2nd, 2006 | 21 | No |
Popular Name: 2-(4-Allyl-5-mercapto-4H-[1,2,4]triazol-3-yl)-N-(3-methylsulfanyl-phenyl)-acetamide 2-(4-Allyl-5-mercapto-4H-[1,2,4]…
| 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) | 1.59 | 8.75 | -21 | 2 | 5 | 0 | 63 | 320.443 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.32 | 8.22 | -54.87 | 1 | 5 | -1 | 60 | 319.435 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
