UCSF

ZINC08698447

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2007 15 Yes

Popular Name: (3-Bromopyridin-4-yl)carbamic acid tert-butyl ester (3-Bromopyridin-4-yl)carbamic ac…

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CAS Numbers: 257937-08-9 , [257937-08-9]

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) 2.50 -0.93 -4.27 1 4 0 51 273.13 3 ↓
Lo Low (pH 4.5-6) 2.50 -0.82 -33.39 2 4 1 52 274.138 3 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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

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