UCSF

ZINC52525222

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 34 No

Popular Name: 2-[{[4-(2,6-dimethylphenyl)piperazino]methyl}(hydroxy)amino]-5-{(Z)-[2-(trifluoromethyl)phenyl]methylidene}-1,3-thiazol-4-one 2-[{[4-(2,6-dimethylphenyl)piper…

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CAS Number: 866040-91-7

Other Names:

MFCD04125708

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) 5.20 9.92 -15.2 1 6 0 60 490.551 6 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 157 KeyOrganics

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Rings

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