UCSF

ZINC41051130

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2010 14 Yes

Popular Name: (2,2-dimethylpropyl)[(1-ethylpyrrolidin-2-yl)methyl]amine (2,2-dimethylpropyl)[(1-ethylpyr…

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CAS Number: 1248143-12-5

Other Names:

MFCD14625066

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) 2.25 4.67 -36.96 2 2 1 20 199.362 5 ↓
Hi High (pH 8-9.5) 2.25 5.9 -29.97 2 2 1 16 199.362 5 ↓
Mid Mid (pH 6-8) 2.25 6.99 -106.35 3 2 2 21 200.37 5 ↓

Vendor Notes

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

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