UCSF

ZINC42543909

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 14 Yes

Popular Name: 1-methyl-N-(2-methylcyclohexyl)pyrrolidin-3-amine 1-methyl-N-(2-methylcyclohexyl)p…

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CAS Number: 1250510-65-6

Other Names:

MFCD14671460

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) 2.39 3.98 -34.1 2 2 1 20 197.346 2 ↓
Hi High (pH 8-9.5) 2.39 3.2 -0.44 1 2 0 15 196.338 2 ↓
Mid Mid (pH 6-8) 2.39 5.7 -31.96 2 2 1 16 197.346 2 ↓
Lo Low (pH 4.5-6) 2.39 6.7 -107.04 3 2 2 21 198.354 2 ↓

Vendor Notes

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

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