UCSF

ZINC20218565

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 30 Yes

Popular Name: 1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-6-(trifluoromethyl)-1,4-dihydro-2,3-quinoxalinedione 1-(2-{[3-chloro-5-(trifluorometh…

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CAS Number: 337921-02-5

Other Names:

MFCD00793016

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) 3.21 7.98 -15.24 2 6 0 80 452.742 6 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 323 - 325 KeyOrganics

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

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