| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 8th, 2011 | 25 | No |
Popular Name: 5-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]-1,2,4-triazol-3-one 5-[4-[[4-(trifluoromethyl)phenyl…
| 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) | 0.74 | 2.29 | -6.05 | 0 | 7 | 0 | 79 | 353.304 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.74 | 4.51 | -54.75 | 1 | 7 | 1 | 80 | 354.312 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
