UCSF

ZINC15443181

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2008 20 Yes

Popular Name: 1-[4-Fluoro-2-(methylsulfonyl)phenyl]piperidine-2-carboxylic acid 1-[4-Fluoro-2-(methylsulfonyl)ph…

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CAS Number: 1214696-88-4

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) 0.13 4.49 -59.29 0 5 -1 78 300.331 3 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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