| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2008 | 13 | Yes |
Popular Name: 3-{[(2-bromophenyl)methyl]amino}propan-1-ol 3-{[(2-bromophenyl)methyl]amino}…
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CAS Number: 40616-65-7
| 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) | 1.90 | 3.2 | -38.27 | 3 | 2 | 1 | 37 | 245.14 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.90 | 1.77 | -5.59 | 2 | 2 | 0 | 32 | 244.132 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
