UCSF

ZINC38591829

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 26 No

Popular Name: (4R,4aS)-2-amino-4-(2,3-dichlorophenyl)-5-oxo-4,4a-dihydropyrano[3,2-c]quinoline-3-carbonitrile (4R,4aS)-2-amino-4-(2,3-dichloro…

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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) 3.61 5.94 -42.53 3 5 1 90 385.23 1 ↓
Lo Low (pH 4.5-6) 3.61 6.32 -118.43 4 5 2 92 386.238 1 ↓

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

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