UCSF

ZINC20218566

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Substance Information

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

Popular Name: 3-chloro-1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-6-(trifluoromethyl)-2(1H)-quinoxalinone 3-chloro-1-(2-{[3-chloro-5-(trif…

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CAS Number: 337921-03-6

Other Names:

MFCD00974170

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) 5.01 8.71 -10.8 1 5 0 60 471.188 6 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 165 - 167 KeyOrganics

Activity (Go SEA)

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