| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2008 | 13 | Yes |
Popular Name: 2-{[(5-bromothiophen-2-yl)methyl]amino}butan-1-ol 2-{[(5-bromothiophen-2-yl)methyl…
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CAS Number: 1042624-34-9
| 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) | 2.56 | 3.36 | -38.8 | 3 | 2 | 1 | 37 | 265.196 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.56 | 2.2 | -4.02 | 2 | 2 | 0 | 32 | 264.188 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
