UCSF

ZINC95707294

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2014 29 Yes

Popular Name: 4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1H-; 1,3-benzodiazol-2-yl]-1,2-dihydroquinolin-2-one 4-amino-5-fluoro-3-[5-(4-methylp…

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CAS Number: 915769-50-5

Other Names:

MFCD10565680

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) 1.70 4.74 -76.23 4 7 2 89 394.454 2 ↓
Mid Mid (pH 6-8) 1.70 2.4 -30.76 3 7 1 88 393.446 2 ↓
Mid Mid (pH 6-8) 1.70 2.39 -31.56 3 7 1 88 393.446 2 ↓

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

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