UCSF

ZINC53996599

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2010 13 Yes

Popular Name: N1-Benzyl-N1-methylpropane-1,3-diamine N1-Benzyl-N1-methylpropane-1,3-d…

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CAS Numbers: 1018815-38-7 , 13910-49-1 , [1018815-38-7] , [13910-49-1]

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) 0.82 2.84 -42.56 3 2 1 31 179.287 5 ↓

Vendor Notes

Note Type Comments Provided By
MP 16 - 18 Enamine Building Blocks
MP 16...18 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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