UCSF

ZINC04814419

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 5th, 2006 23 Yes

Popular Name: 1-cyclohexyl-4-indolin-1-ylcarbonyl-pyrrolidin-2-one 1-cyclohexyl-4-indolin-1-ylcarbo…

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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) 3.11 9.65 -14.17 0 4 0 41 312.413 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
INHA-2-B Enoyl-[acyl-carrier-protein] Reductase (cluster #2 Of 4), Bacterial Bacteria 5100 0.32 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
INHA_MYCTU P0A5Y6 Enoyl-[acyl-carrier-protein] Reductase, Myctu 5100 0.32 Binding ≤ 10μM

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