| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 19th, 2011 | 23 | No |
Popular Name: 2-[3-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-1-(4-methylene-1-piperidyl)ethanone 2-[3-(4-chlorophenyl)-5-thioxo-1…
| 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) | 3.30 | 10.2 | -51.91 | 0 | 5 | -1 | 51 | 347.851 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.58 | 10.1 | -15.09 | 1 | 5 | 0 | 54 | 348.859 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
