UCSF

ZINC00339417

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2005 18 Yes

Popular Name: 6-(4-Methyl-piperazine-1-carbonyl)-cyclohex-3-enecarboxylic acid 6-(4-Methyl-piperazine-1-carbony…

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CAS Numbers: , 436087-12-6 , [436087-12-6]

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) 0.46 0.55 -75.06 1 5 0 64 252.314 2 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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