UCSF

ZINC33829005

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 21 Yes

Popular Name: 1,2-Benzenediol, 4-(1-methyl-3-piperidinyl)-, diacetate (ester), ethanedioate (1:1); 4-(1-Methyl-3-piperidinyl)-1,2-benzenediol diacetate (ester) ethanedioate (1:1); LS-30004; N-Methyl-3-(3',4'-diacetoxyphenyl)piperidine oxalate 1,2-Benzenediol, 4-(1-methyl-3-p…

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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
Hi High (pH 8-9.5) 1.45 8.4 -12.83 0 5 0 56 291.347 5 ↓

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