| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 23rd, 2011 | 19 | No |
Popular Name: 4-methyl-5-[4-(pyrrolidin-1-ylmethyl)-1-piperidyl]-1,2,4-triazole-3-thiol 4-methyl-5-[4-(pyrrolidin-1-ylme…
| 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) | 1.07 | 10.94 | -50.35 | 2 | 5 | 1 | 41 | 282.437 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.80 | 10.83 | -69.45 | 1 | 5 | 0 | 38 | 281.429 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![3-[4-(pyrrolidinomethyl)piperidino]-1,4-dihydro-1,2,4-triazole-5-thione](http://zinc12.docking.org/img/rings/14971.gif)