| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 22nd, 2006 | 19 | No |
Popular Name: 5-(Benzothiazol-2-ylsulfanylmethyl)-4-ethyl-4H-[1,2,4]triazole-3-thiol 5-(Benzothiazol-2-ylsulfanylmeth…
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CAS Number: 522624-32-4
| 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) | 3.40 | 8.62 | -45.99 | 0 | 4 | -1 | 44 | 307.449 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.68 | 8.81 | -13.79 | 1 | 4 | 0 | 47 | 308.457 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
