UCSF

ZINC19440084

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 18 Yes

Popular Name: 2,2-Difluoro-8-oxo-5,8-dihydro-[1,3]dioxolo[4,5-g]quinoline-7-carbonitrile 2,2-Difluoro-8-oxo-5,8-dihydro-[…

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CAS Number: 1016782-99-2

Other Names:

MFCD09934230

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) 2.18 2.42 -31.04 0 5 -1 78 249.152 0 ↓
Mid Mid (pH 6-8) 0.88 3.83 -25.23 1 5 0 75 250.16 0 ↓

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

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