UCSF

ZINC00086624

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 14 No

Popular Name: 5-(4-Fluorobenzyl)thiazol-2-amine 5-(4-Fluorobenzyl)thiazol-2-amine

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CAS Numbers: 315241-39-5 , 1181458-45-6 , 315241-39-5 , [315241-39-5]

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) 2.84 -1.04 -7.04 2 2 0 39 208.261 2 ↓
Lo Low (pH 4.5-6) 2.84 -0.9 -33.68 3 2 1 40 209.269 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 127 - 129 Enamine Building Blocks
MP 127...129 Enamine Building Blocks
MP 135-136° Matrix Scientific
MP 218 - 220 Enamine Building Blocks
MP 218...220 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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