| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 6th, 2009 | 11 | Yes |
Popular Name: Benzeneethanamine, 4-amino-alpha-methyl- (9CI) Benzeneethanamine, 4-amino-alpha…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 57736-33-1 , 63949-92-8
| 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) | 0.40 | 1.8 | -40.11 | 5 | 2 | 1 | 54 | 151.233 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0611003A1; EP0611003B1; US5451677 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50597-12-O | Rattus Norvegicus (cluster #12 Of 12), Other | Other | 70 | 0.91 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50597 | Z50597 | Rattus Norvegicus | 160 | 0.86 | Functional ≤ 10μM |
