UCSF

ZINC00272582

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 19 No

Popular Name: 3-chloro-1-(3,4-dichlorophenyl)-4-(dimethylamino)-3-pyrroline-2,5-quinone 3-chloro-1-(3,4-dichlorophenyl)-…

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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) 3.19 6.81 -5.88 0 4 0 42 319.575 2 ↓

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 400 0.47 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
B2LA1_HUMAN Q16548 Bcl-2-related Protein A1, Human 300 0.48 Binding ≤ 1μM
B2LA1_HUMAN Q16548 Bcl-2-related Protein A1, Human 300 0.48 Binding ≤ 10μM

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

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