| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2008 | 18 | Yes |
Popular Name: 4-{[(2-methylphenyl)methyl]amino}benzoic acid 4-{[(2-methylphenyl)methyl]amino…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1172716-00-5 , 923204-78-8
| 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) | 3.51 | 7.36 | -54.15 | 1 | 3 | -1 | 52 | 240.282 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.51 | 6.25 | -9.2 | 2 | 3 | 0 | 49 | 241.29 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 182 - 184 | Enamine Building Blocks |
| MP | 182...184 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
