| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 23rd, 2009 | 27 | No |
| 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) | 3.20 | 8.92 | -13.53 | 0 | 5 | 0 | 40 | 399.541 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.20 | 10.84 | -39.79 | 1 | 5 | 1 | 41 | 400.549 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![3-[(1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3,4-thiadiazole-2-thione](http://zinc12.docking.org/img/rings/146418.gif)