UCSF

ZINC00709344

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2005 21 Yes

Popular Name: 2-(4-Bromophenyl)-6-chloroquinoline-4-carboxylic acid 2-(4-Bromophenyl)-6-chloroquinol…

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CAS Numbers: , 342017-94-1 , [342017-94-1]

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) 5.10 -0.53 -46.19 0 3 -1 53 361.602 2 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SYPC-1-F Prolyl-tRNA Synthetase (cluster #1 Of 1), Fungal Fungi 26 0.51 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SYPC_CANAX P78600 Prolyl-tRNA Synthetase, Canax 26 0.51 Binding ≤ 1μM
SYPC_CANAX P78600 Prolyl-tRNA Synthetase, Canax 26 0.51 Binding ≤ 10μM

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