UCSF

ZINC14966758

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 20 Yes

Popular Name: (1S)-1-(3-bromophenyl)-2-[(2-methoxyphenyl)methylamino]ethanol (1S)-1-(3-bromophenyl)-2-[(2-met…

Find On: PubMed — Wikipedia — Google

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) 3.10 4.34 -7.07 2 3 0 41 336.229 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 110 0.49 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SYFA_STAAU P68849 Phenylalanyl-tRNA Synthetase Alpha Chain, Staau 110 0.49 Binding ≤ 1μM
SYFA_STAAU P68849 Phenylalanyl-tRNA Synthetase Alpha Chain, Staau 110 0.49 Binding ≤ 10μM

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

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