UCSF

ZINC32917406

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2009 19 Yes

Popular Name: 1-{[Butyl(ethyl)amino]sulfonyl}piperidine-4-carboxylic acid 1-{[Butyl(ethyl)amino]sulfonyl}p…

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CAS Numbers: 1119452-27-5 , [1119452-27-5]

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) 1.56 4.4 -47.14 0 6 -1 81 291.393 7 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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