| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 18 | No |
Popular Name: 5-[4-(dimethylamino)-1-piperidyl]-4-propyl-1,2,4-triazole-3-thiol 5-[4-(dimethylamino)-1-piperidyl…
| 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) | 1.17 | 10.23 | -51.63 | 2 | 5 | 1 | 41 | 270.426 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.89 | 8.02 | -41.42 | 1 | 5 | 0 | 38 | 269.418 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.89 | 10.35 | -69.66 | 1 | 5 | 0 | 38 | 269.418 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.17 | 10.52 | -121.82 | 3 | 5 | 2 | 42 | 271.434 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
