| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 1st, 2009 | 18 | Yes |
Popular Name: ethyl 2-{[(3,4-dimethoxyphenyl)methyl]amino}acetate ethyl 2-{[(3,4-dimethoxyphenyl)m…
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CAS Number: 60857-14-9
| 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) | 1.38 | 5.57 | -51.61 | 2 | 5 | 1 | 61 | 254.306 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.38 | 4.22 | -10.72 | 1 | 5 | 0 | 57 | 253.298 | 8 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| PUBCHEM_PATENT_ID | US4897109; US5028256 | IBM Patent Data |
