| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 20th, 2008 | 21 | No |
Popular Name: N-methyl-4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane-1-carbothioamide N-methyl-4-[5-(trifluoromethyl)-…
| 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) | 2.39 | 6.89 | -12.62 | 1 | 4 | 0 | 31 | 318.368 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
