UCSF

ZINC02526990

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 16 Yes

Popular Name: 6-fluoro-3-(piperidin-4-yl)-1H-indole 6-fluoro-3-(piperidin-4-yl)-1H-i…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 180411-84-1 , 76315-55-4 , [180411-84-1] , [76315-55-4]

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) 2.04 6.13 -45.91 3 2 1 32 219.283 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 225 - 227 Enamine Building Blocks
MP 225...227 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50597-1-O Rattus Norvegicus (cluster #1 Of 12), Other Other 20 0.67 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50597 Z50597 Rattus Norvegicus 20 0.67 Functional ≤ 10μM

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