UCSF

ZINC33824496

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 20 Yes

Popular Name: 2-Allylamino-4-N-methylpiperazino-6-chloro-5-methylthiopyrimidine; 2-Pyrimidinamine, 4-chloro-6-(4-methyl-1-piperazinyl)-5-(methylthio)-N-2-propenyl-; 4-Chloro-6-(4-methyl-1-piperazinyl)-5-(methylthio)-N-2-propenyl-2-pyrimidinamine; LS-134460 2-Allylamino-4-N-methylpiperazin…

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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) 2.75 9.36 -39.03 2 5 1 45 314.866 5 ↓
Mid Mid (pH 6-8) 2.75 7 -4.27 1 5 0 44 313.858 5 ↓

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