UCSF

ZINC04298758

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2005 16 No

Popular Name: (1,1-Dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-phenethyl-amine (1,1-Dioxo-tetrahydro-1lambda*6*…

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CAS Number: 453576-58-4

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) 1.42 3.91 -62.85 2 3 1 51 240.348 4 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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