UCSF

ZINC52525258

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 34 No

Popular Name: dimethyl 1,11-dioxo-1,11-diphenyl-6-thioxo-2,5,7,10-tetraaza-3,8-undecadiene-3,9-dicarboxylate dimethyl 1,11-dioxo-1,11-dipheny…

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CAS Number: 126573-70-4

Other Names:

MFCD01936362

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) 1.48 7.52 -137.06 2 10 -2 148 480.502 10 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 270 - 272 KeyOrganics

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Rings

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

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