| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2004 | 20 | No |
Popular Name: 5-(5-tert-butyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)-4-methyl-4H-1,2,4-triazole-3-thiol 5-(5-tert-butyl-4,5,6,7-tetrahyd…
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CAS Number: 790232-38-1
| 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) | 4.80 | 10.41 | -44.33 | 0 | 3 | -1 | 31 | 306.48 | 2 | ↓ |
| Mid Mid (pH 6-8) | 4.08 | 10.57 | -9.92 | 1 | 3 | 0 | 34 | 307.488 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
