UCSF

ZINC42544751

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 13 Yes

Popular Name: N-cyclohexyl-1-methylpyrrolidin-3-amine N-cyclohexyl-1-methylpyrrolidin-…

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CAS Number: 1247648-08-3

Other Names:

MFCD14671526

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) 2.15 3.51 -35.71 2 2 1 20 183.319 2 ↓
Hi High (pH 8-9.5) 2.15 2.37 -0.56 1 2 0 15 182.311 2 ↓
Mid Mid (pH 6-8) 2.15 5.21 -32.09 2 2 1 16 183.319 2 ↓
Lo Low (pH 4.5-6) 2.15 6.17 -105.78 3 2 2 21 184.327 2 ↓

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% )