| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 19th, 2006 | 24 | No |
Popular Name: N-[1-(4-Allyl-5-mercapto-4H-[1,2,4]triazol-3-yl)-3-methyl-butyl]-2-chloro-benzamide N-[1-(4-Allyl-5-mercapto-4H-[1,2…
| 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) | 3.25 | 9.3 | -14.54 | 2 | 5 | 0 | 63 | 364.902 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.98 | 9.14 | -43.4 | 1 | 5 | -1 | 60 | 363.894 | 7 | ↓ |
