UCSF

ZINC08991803

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 23 Yes

Popular Name: [1-({[(4-methoxyphenyl)sulfonyl]amino}methyl)cyclohexyl]acetic acid [1-({[(4-methoxyphenyl)sulfonyl]…

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CAS Numbers: , 929830-68-2

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) 2.57 -4.25 -53.3 1 6 -1 95 340.421 7 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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