| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 18th, 2011 | 22 | Yes |
Popular Name: 4-ethyl-2-methyl-5-[(3S)-1-(3-pyridylmethyl)-3-piperidyl]-1,2,4-triazol-3-one 4-ethyl-2-methyl-5-[(3S)-1-(3-py…
| 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) | 0.22 | 8.39 | -54.43 | 1 | 6 | 1 | 57 | 302.402 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.22 | 6.17 | -11.74 | 0 | 6 | 0 | 56 | 301.394 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![3-[1-(3-pyridylmethyl)-3-piperidyl]-1,4-dihydro-1,2,4-triazol-5-one](http://zinc12.docking.org/img/rings/602933.gif)