UCSF

ZINC01381936

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 27 No

Popular Name: 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-3-(phenylsulfanyl)-1H-pyrrole-2,5-dione 1-[[3-chloro-5-(trifluoromethyl)…

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CAS Number: 338772-53-5

Other Names:

MFCD00665176

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) 3.99 2.94 -8.78 0 5 0 55 413.808 5 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 134 - 136 KeyOrganics

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Rings

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

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