UCSF

ZINC12955803

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2008 16 Yes

Popular Name: 5-(4-Chlorophenyl)nicotinic acid 5-(4-Chlorophenyl)nicotinic acid

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CAS Numbers: 187999-33-3 , [187999-33-3]

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) 2.89 6.26 -46.57 0 3 -1 53 232.646 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

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