UCSF

ZINC00783201

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 22 No

Popular Name: 3-chloro-1-(3,4-dichlorophenyl)-4-morpholin-4-yl-1H-pyrrole-2,5-dione 3-chloro-1-(3,4-dichlorophenyl)-…

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CAS Numbers: , 415713-60-9

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 -0.83 -4.67 0 5 0 51 361.612 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Target Others Selleck Chemicals

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
B2LA1-1-E Bcl-2-related Protein A1 (cluster #1 Of 1), Eukaryotic Eukaryotes 800 0.39 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
B2LA1_HUMAN Q16548 Bcl-2-related Protein A1, Human 450 0.40 Binding ≤ 1μM
B2LA1_HUMAN Q16548 Bcl-2-related Protein A1, Human 450 0.40 Binding ≤ 10μM

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

No pre-computed analogs available. Try a structural similarity search.