| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2010 | 19 | No |
Popular Name: 1-[(3-propyl-5-thioxo-4H-1,2,4-triazol-1-yl)methyl]piperidine-4-carboxamide 1-[(3-propyl-5-thioxo-4H-1,2,4-t…
| 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) | 0.13 | 5.98 | -48.18 | 4 | 6 | 1 | 81 | 284.409 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.13 | 3.57 | -17.6 | 3 | 6 | 0 | 80 | 283.401 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
