UCSF

ZINC37248592

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 15 Yes

Popular Name: N-(cyclohex-3-en-1-ylmethyl)-1-methylpiperidin-4-amine N-(cyclohex-3-en-1-ylmethyl)-1-m…

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CAS Number: 1096348-55-8

Other Names:

MFCD12166065

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) 2.32 6.61 -32.91 2 2 1 16 209.357 3 ↓
Mid Mid (pH 6-8) 2.32 5.34 -39.56 2 2 1 20 209.357 3 ↓
Lo Low (pH 4.5-6) 2.32 7.72 -104.96 3 2 2 21 210.365 3 ↓

Vendor Notes

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

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