UCSF

ZINC33839186

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2009 18 Yes

Popular Name: 3-Ethyl-7-hydroxy-2-methyl-8-(methylamino)methylchromone hydrochloride; 4H-1-Benzopyran-4-one, 3-ethyl-7-hydroxy-2-methyl-8-((methylamino)methyl)-, hydrochloride; Chromone, 3-ethyl-7-hydroxy-2-methyl-8-(methylamino)methyl-, hydrochloride; LS-53529 3-Ethyl-7-hydroxy-2-methyl-8-(me…

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Vendors

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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) 2.33 3.82 -49.26 3 4 1 67 248.302 3 ↓
Hi High (pH 8-9.5) 2.33 4.58 -39.92 2 4 0 70 247.294 3 ↓

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