UCSF

ZINC32445497

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2009 11 Yes

Popular Name: (1-Aminomethyl-cyclohexyl)-dimethyl-amine (1-Aminomethyl-cyclohexyl)-dimet…

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CAS Numbers: 41806-09-1 , 41921-99-7

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) 1.12 3.47 -113.98 4 2 2 32 158.289 2 ↓
Mid Mid (pH 6-8) 1.12 2.99 -27.63 3 2 1 30 157.281 2 ↓
Mid Mid (pH 6-8) 1.12 1.5 -39.12 3 2 1 31 157.281 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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