UCSF

ZINC03104246

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2004 32 Yes

Popular Name: 5-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-8-(trifluoromethyl)[1,2,4]triazolo[4,3-a]quinoxalin-4(5H)-one 5-(2-{[3-chloro-5-(trifluorometh…

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CAS Number: 337921-05-8

Other Names:

MFCD00793018

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.84 11.36 -51.45 2 7 1 78 477.776 6 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 294 - 296 KeyOrganics

Activity (Go SEA)

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

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