UCSF

ZINC33839190

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2009 22 Yes

Popular Name: 3-Ethyl-7-hydroxy-2-methyl-8-piperidinomethylchromone hydrochloride; 4H-1-Benzopyran-4-one, 3-ethyl-7-hydroxy-2-methyl-8-(1-piperidinylmethyl)-, hydrochloride; Chromone, 3-ethyl-7-hydroxy-2-methyl-8-piperidinomethyl-, hydrochloride; LS-53533 3-Ethyl-7-hydroxy-2-methyl-8-pip…

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Annotations

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) 3.49 7.7 -44.56 2 4 1 55 302.394 3 ↓
Hi High (pH 8-9.5) 3.49 8.47 -35.6 1 4 0 58 301.386 3 ↓

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