UCSF

ZINC09357355

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2007 35 No

Popular Name: benzo[1,3]dioxol-5-yl-phenyl-BLAHtetrone benzo[1,3]dioxol-5-yl-phenyl-BLA…

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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) 3.14 9.09 -12.28 0 8 0 99 467.433 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 970 0.24 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SYFA_STRP8 Q8P1K1 Phenylalanyl-tRNA Synthetase Alpha Chain, Strp8 970 0.24 Binding ≤ 1μM
SYFA_STRP8 Q8P1K1 Phenylalanyl-tRNA Synthetase Alpha Chain, Strp8 2700 0.22 Binding ≤ 10μM

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

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