UCSF

ZINC33839182

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Substance Information

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

Popular Name: 2,3-Dimethyl-8-(dimethylamino)methyl-7-hydroxychromone hydrochloride; 4H-1-Benzopyran-4-one, 8-((dimethylamino)methyl)-7-hydroxy-2,3-dimethyl-, hydrochloride; Chromone, 2,3-dimethyl-8-(dimethylamino)methyl-7-hydroxy-, hydrochloride; LS-53513 2,3-Dimethyl-8-(dimethylamino)me…

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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) 2.11 5.16 -45.85 2 4 1 55 248.302 2 ↓
Hi High (pH 8-9.5) 2.11 5.92 -38.22 1 4 0 58 247.294 2 ↓
Hi High (pH 8-9.5) 2.11 2.68 -10.84 1 4 0 54 247.294 2 ↓

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