| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 6th, 2009 | 7 | No |
Popular Name: 5-Mercapto-4H-[1,2,4]triazol-3-ol 5-Mercapto-4H-[1,2,4]triazol-3-ol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 503-89-9 , [503-89-9]
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) | -0.52 | -2.36 | -32.08 | 2 | 4 | -1 | 68 | 116.125 | 0 | ↓ |
| Mid Mid (pH 6-8) | -0.98 | -0.67 | -10.91 | 3 | 4 | 0 | 64 | 117.133 | 0 | ↓ |
| Mid Mid (pH 6-8) | -0.25 | -0.75 | -31.41 | 2 | 4 | -1 | 62 | 116.125 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
No pre-computed analogs available. Try a structural similarity search.
