| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 29th, 2008 | 18 | Yes |
Popular Name: 1,3-bis(4-chlorophenyl)propan-2-amine hydrochloride 1,3-bis(4-chlorophenyl)propan-2-…
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CAS Numbers: 1017130-96-9 , 1375968-68-5
| 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) | 4.14 | -0.99 | -51.5 | 3 | 1 | 1 | 28 | 281.206 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 239 - 241 | Enamine Building Blocks |
| MP | 239...241 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SC6A4-3-E | Serotonin Transporter (cluster #3 Of 4), Eukaryotic | Eukaryotes | 1900 | 0.44 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SC6A4_HUMAN | P31645 | Serotonin Transporter, Human | 1900 | 0.44 | Binding ≤ 10μM |
