UCSF

ZINC33825383

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Substance Information

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

Popular Name: 2-(N-Methyl-N-acetyl)amino-4-N-methylpiperazino-5-methylthio-6-chloro-pyrimidine hydrochloride; Acetamide, N-(4-chloro-6-(4-methyl-1-piperazinyl)-5-(methylthio)-2-pyrimidinyl)-N-methyl-, monohydrochloride; LS-8600 2-(N-Methyl-N-acetyl)amino-4-N-m…

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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) 1.83 10.29 -49.7 1 6 1 54 330.865 3 ↓
Mid Mid (pH 6-8) 1.83 7.87 -11.86 0 6 0 53 329.857 3 ↓

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