UCSF

ZINC66054384

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2011 26 Yes

Popular Name: 4-Chloro-1-(phenylsulfonyl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid 4-Chloro-1-(phenylsulfonyl)-5-(t…

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CAS Number: 1299607-39-8

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) 3.53 8.49 -47.3 0 6 -1 92 403.745 4 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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

No pre-computed analogs available. Try a structural similarity search.