UCSF

ZINC17835434

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2008 34 No

Popular Name: 5-(3-chloro-4-methylphenyl)-1-phenyl-3a,6a-dihydrosprio[1H-furo[3,4-c]pyrrole-3,2'-(1'H)-indene]-1',3',4,6(2'H,3H,5H)-tetrone 5-(3-chloro-4-methylphenyl)-1-ph…

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Other Names:

MFCD00808937

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) 4.31 12.03 -12.5 0 6 0 81 471.896 2 ↓
Ref Reference (pH 7) 4.31 11.54 -10.68 0 6 0 81 471.896 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SYFA-1-B Phenylalanyl-tRNA Synthetase Alpha Chain (cluster #1 Of 1), Bacterial Bacteria 70 0.29 Binding ≤ 10μM
SYFA-1-B Phenylalanyl-tRNA Synthetase Alpha Chain (cluster #1 Of 1), Bacterial Bacteria 8300 0.21 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SYFA_STRP8 Q8P1K1 Phenylalanyl-tRNA Synthetase Alpha Chain, Strp8 220 0.27 Binding ≤ 1μM
SYFA_STRP8 Q8P1K1 Phenylalanyl-tRNA Synthetase Alpha Chain, Strp8 220 0.27 Binding ≤ 10μM

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