UCSF

ZINC01385811

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 32 No

Popular Name: 5-({1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-isoindol-3-yl}methylene)-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione 5-({1-[3-chloro-5-(trifluorometh…

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CAS Number: 338409-95-3

Other Names:

MFCD00664503

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) 2.45 0.87 -10.81 0 7 0 86 462.815 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 242 - 244 KeyOrganics

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Rings

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

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