UCSF

ZINC22921623

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 11 Yes

Popular Name: 3-methyl-2-(1-pyrrolidinyl)-1-butanamine 3-methyl-2-(1-pyrrolidinyl)-1-bu…

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CAS Number: 929343-27-1

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) 0.66 1.99 -41.47 3 2 1 31 157.281 3 ↓
Mid Mid (pH 6-8) 0.66 3.89 -26.13 3 2 1 30 157.281 3 ↓
Mid Mid (pH 6-8) 0.66 3.92 -114.06 4 2 2 32 158.289 3 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

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