| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 4th, 2011 | 23 | No |
None
| 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) | 0.31 | 7.02 | -17.22 | 2 | 7 | 0 | 89 | 332.385 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.04 | 6.81 | -48.3 | 1 | 7 | -1 | 86 | 331.377 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![1-keto-N-[(5-thioxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]isochroman-3-carboxamide](http://zinc12.docking.org/img/rings/462446.gif)