UCSF

ZINC03071434

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2004 17 Yes

Popular Name: 4-(Piperidine-1-sulfonyl)benzonitrile 4-(Piperidine-1-sulfonyl)benzoni…

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CAS Numbers: 227935-30-0 , [227935-30-0]

Other Names:

MFCD00512381

OT-2227

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) 1.91 -2.14 -9.23 0 4 0 61 250.323 2 ↓

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