UCSF

ZINC03883512

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 16 No

Popular Name: 2-amino-5-(2-chlorophenyl)-1,3-thiazole-4-carboxylic acid 2-amino-5-(2-chlorophenyl)-1,3-t…

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CAS Numbers: , 886361-44-0

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) 2.83 -2.62 -56.87 2 4 -1 79 253.69 2 ↓
Lo Low (pH 4.5-6) 2.83 -2.48 -34.95 3 4 0 76 254.698 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 246 KeyOrganics
MP 246° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
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.