UCSF

ZINC01457179

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 23 Yes

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

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CAS Numbers: , 438220-99-6

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) 3.95 -0.15 -51.06 0 5 -1 71 306.297 2 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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