UCSF

ZINC33813209

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 37 No

Popular Name: (2R)-1-(2-diethylaminoethyl)-2-(3-ethoxyphenyl)-4-hydroxy-3-(4-methyl-2-phenyl-thiazole-5-carbonyl)- (2R)-1-(2-diethylaminoethyl)-2-(…

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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) 4.88 13.25 -67.64 1 7 0 87 519.667 11 ↓
Hi High (pH 8-9.5) 4.88 10.76 -58.04 0 7 -1 86 518.659 11 ↓
Lo Low (pH 4.5-6) 4.88 12.14 -46.85 2 7 1 84 520.675 11 ↓

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