UCSF

ZINC20092024

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 15 Yes

Popular Name: [(1-ethylpyrrolidin-2-yl)methyl](3-methylpentan-2-yl)amine [(1-ethylpyrrolidin-2-yl)methyl]…

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CAS Number: 1218340-13-6

Other Names:

MFCD11158212

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) 2.85 5.18 -37.93 2 2 1 20 213.389 6 ↓
Hi High (pH 8-9.5) 2.85 6.2 -29.52 2 2 1 16 213.389 6 ↓
Mid Mid (pH 6-8) 2.85 7.54 -107.87 3 2 2 21 214.397 6 ↓

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% )