UCSF

ZINC33839178

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2009 23 Yes

Popular Name: 2,3-Diethyl-7-hydroxy-8-piperidinomethylchromone hydrochloride; 4H-1-Benzopyran-4-one, 2,3-diethyl-7-hydroxy-8-(1-piperidinylmethyl)-, hydrochloride; Chromone, 2,3-diethyl-7-hydroxy-8-piperidinomethyl-, hydrochloride; LS-53500 2,3-Diethyl-7-hydroxy-8-piperidi…

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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) 4.06 8.44 -43.59 2 4 1 55 316.421 4 ↓
Hi High (pH 8-9.5) 4.06 9.2 -34.25 1 4 0 58 315.413 4 ↓

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