UCSF

ZINC01437372

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2005 15 Yes

Popular Name: 4-Pyridin-3-yl-benzoic acid 4-Pyridin-3-yl-benzoic acid

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CAS Numbers: 4385-75-5 , 4385-78-8 , [4385-75-5]

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) 2.57 5.76 -51.51 0 3 -1 53 198.201 2 ↓
Lo Low (pH 4.5-6) 2.57 6.05 -76.34 1 3 0 54 199.209 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 215° Matrix Scientific
Purity 97% Matrix Scientific
Warnings IRRITANT Matrix Scientific
Warnings Irritant/Refrigerate Matrix Scientific

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

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