UCSF

ZINC00154275

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 17 Yes

Popular Name: 4-(5-Fluoro-2,3-dihydro-1H-indol-1-yl)-4-oxobutanoic acid 4-(5-Fluoro-2,3-dihydro-1H-indol…

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CAS Numbers: 393183-92-1 , [393183-92-1]

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) 0.61 6 -47.58 0 4 -1 60 236.222 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 160 - 162° Fluorochem
MP 160-162° Matrix Scientific
Purity 95%+ Fluorochem
Warnings Irritant Matrix Scientific
PUBCHEM_PATENT_ID WO2000001692A1 IBM Patent Data

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

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