| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 21st, 2009 | 21 | Yes |
Popular Name: 4-{[1-(2,5-dimethylphenyl)ethyl]amino}-3-methylbenzoic acid 4-{[1-(2,5-dimethylphenyl)ethyl]…
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CAS Number: 1157325-19-3
| 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) | 4.87 | 10.36 | -52.56 | 1 | 3 | -1 | 52 | 282.363 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 4.87 | 8.39 | -7.64 | 2 | 3 | 0 | 49 | 283.371 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 211 - 213 | Enamine Building Blocks |
| MP | 211...213 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
