UCSF

ZINC03120156

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2004 23 Yes

Popular Name: 2-(1,3-Benzodioxol-5-yl)-6-chloroquinoline-4-carboxylic acid 2-(1,3-Benzodioxol-5-yl)-6-chlor…

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CAS Numbers: , 847503-14-4

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) 4.18 8.16 -45.92 0 5 -1 71 326.715 2 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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