UCSF

ZINC14966691

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 21 Yes

Popular Name: (1S)-2-(benzylamino)-1-[3-(trifluoromethyl)phenyl]ethanol (1S)-2-(benzylamino)-1-[3-(trifl…

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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) 3.18 5.32 -6.03 2 2 0 32 295.304 6 ↓

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 160 0.45 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SYFA_STAAU P68849 Phenylalanyl-tRNA Synthetase Alpha Chain, Staau 160 0.45 Binding ≤ 1μM
SYFA_STAAU P68849 Phenylalanyl-tRNA Synthetase Alpha Chain, Staau 160 0.45 Binding ≤ 10μM

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

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