| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 11th, 2006 | 21 | No |
Popular Name: 5-(4-tert-Butyl-phenyl)-4-cyclopentyl-4H-[1,2,4]triazole-3-thiol 5-(4-tert-Butyl-phenyl)-4-cyclop…
Find On: PubMed — Wikipedia — Google
CAS Number: 750610-76-5
| 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) | 4.67 | 11.16 | -8.3 | 1 | 3 | 0 | 34 | 301.459 | 3 | ↓ |
| Mid Mid (pH 6-8) | 5.40 | 11.34 | -46.61 | 0 | 3 | -1 | 31 | 300.451 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
