UCSF

ZINC19735355

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 13 Yes

Popular Name: N,N-Dimethyl-N'-thiophen-2-ylmethyl-propane-1,3-diamine N,N-Dimethyl-N'-thiophen-2-ylmet…

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CAS Numbers: 1049776-99-9 , 626216-45-3

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) 1.70 5.12 -34.77 2 2 1 16 199.343 6 ↓
Mid Mid (pH 6-8) 1.70 4.01 -40.39 2 2 1 20 199.343 6 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

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