UCSF

ZINC18066800

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2008 34 No

Popular Name: (1S,3aR,6aS)-5-(2-methoxyphenyl)-1-phenyl-spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indane]-1', (1S,3aR,6aS)-5-(2-methoxyphenyl)…

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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) 3.26 10.01 -14.34 0 7 0 90 453.45 3 ↓
Ref Reference (pH 7) 3.26 11.67 -15.36 0 7 0 90 453.45 3 ↓

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 6100 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 1800 0.24 Binding ≤ 10μM

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