UCSF

ZINC04897328

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2006 15 Yes

Popular Name: (2H-1,3-benzodioxol-5-ylmethyl)(butan-2-yl)amine (2H-1,3-benzodioxol-5-ylmethyl)(…

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CAS Number: 68291-96-3

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) 2.60 -0.22 -41.97 2 3 1 35 208.281 4 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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