| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 9th, 2013 | 13 | Yes |
Popular Name: 3-(4-aminophenyl)-2-methylpropanoic acid 3-(4-aminophenyl)-2-methylpropan…
Find On: PubMed — Wikipedia — Google
CAS Number: 103096-03-3
| 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) | 1.19 | 5 | -46.82 | 2 | 3 | -1 | 66 | 178.211 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.19 | 3.01 | -5.89 | 3 | 3 | 0 | 63 | 179.219 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 126 - 128 | Enamine Building Blocks |
| MP | 126...128 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
No pre-computed analogs available. Try a structural similarity search.