UCSF

ZINC05060480

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 19th, 2006 15 Yes

Popular Name: 1-(3,4-Dichlorophenyl)-3-dimethylamino-1-propanonehydrochloride 1-(3,4-Dichlorophenyl)-3-dimethy…

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CAS Number: 75144-12-6

Download: MOL2 SDF SMILES Flexibase

Physical Representations

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) 3.04 1.99 -46.01 1 2 1 21 247.145 4 ↓

Vendor Notes

Note Type Comments Provided By
Purity 97% Fluorochem

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TYTR-1-E Trypanothione Reductase (cluster #1 Of 2), Eukaryotic Eukaryotes 3300 0.51 Binding ≤ 10μM
Z50418-5-O Trypanosoma Brucei (cluster #5 Of 6), Other Other 1000 0.56 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TYTR_TRYBB P39051 Trypanothione Reductase, Trybb 3300 0.51 Binding ≤ 10μM
Z50418 Z50418 Trypanosoma Brucei 1000 0.56 Functional ≤ 10μM

Analogs ( Draw Identity 99% 90% 80% 70% )