| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 7th, 2004 | 24 | Yes |
Popular Name: [2-(Toluene-4-sulfonyl)-1,2,3,4-tetrahydro-isoquinolin-1-yl]-acetic acid [2-(Toluene-4-sulfonyl)-1,2,3,4-…
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CAS Number: 326619-33-4
| 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) | 2.79 | 9.15 | -62.42 | 0 | 5 | -1 | 78 | 344.412 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.79 | 7.17 | -14.91 | 1 | 5 | 0 | 75 | 345.42 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
