| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 23rd, 2009 | 27 | No |
Popular Name: 3-[[(1,3-diphenylpyrazol-4-yl)methyl-methyl-amino]methyl]-1,3,4-thiadiazole-2-thione 3-[[(1,3-diphenylpyrazol-4-yl)me…
| 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) | 3.13 | 10.14 | -16.54 | 0 | 5 | 0 | 39 | 393.541 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.13 | 12.6 | -44.27 | 1 | 5 | 1 | 40 | 394.549 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![3-[[(1,3-diphenylpyrazol-4-yl)methylamino]methyl]-1,3,4-thiadiazole-2-thione](http://zinc12.docking.org/img/rings/146831.gif)