| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2010 | 20 | No |
Popular Name: [4-(3-pyridylmethyl)piperazin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone [4-(3-pyridylmethyl)piperazin-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) | 0.26 | 2.12 | -7.49 | 0 | 6 | 0 | 62 | 289.364 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.26 | 4.33 | -46.87 | 1 | 6 | 1 | 63 | 290.372 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![[4-(3-pyridylmethyl)piperazino]-(1,2,5-thiadiazol-3-yl)methanone](http://zinc12.docking.org/img/rings/549645.gif)