UCSF

ZINC14880007

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2008 24 Yes

CAS Number: 4360-17-7

Other Names:

MFCD10487794

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) 2.56 2.15 -7.26 2 4 0 47 326.44 1
Mid Mid (pH 6-8) 2.56 4.77 -33.91 3 4 1 48 327.448 1

Vendor Notes

Note Type Comments Provided By
therap antiarrhythmic (Class Ia): inhibits glucose uptake by mitochondria, & PAF blocker MicroSource World Drugs
PUBCHEM_PATENT_ID EP0091964A1; EP0091964B2; EP0309624A1; EP0309624B1; EP0347733A1; EP0433526A1; EP0475160B1; EP0521435A3; EP0580860A1; EP0580860B1; EP0617612B1; EP0782861A1; US3960859; US4590190; US4593048; US4710497; US4752612; US5059628; US5128376; US5891920; WO199802326 IBM Patent Data

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