UCSF

ZINC33825284

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 18 Yes

Popular Name: 2,4-Pyrimidinediamine, 6-chloro-N(sup 4)-(2-(dimethylamino)ethyl)-N(sup 2),N(sup 2)-dimethyl-5-(methylthio)-; 2-Dimethylamino-4-(2'-dimethylamino)ethylamino-5-methylthio-6-chloropyrimidine; LS-134987 2,4-Pyrimidinediamine, 6-chloro-…

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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) 2.36 8.63 -41.85 2 5 1 45 290.844 6 ↓
Hi High (pH 8-9.5) 2.36 6.21 -5.45 1 5 0 44 289.836 6 ↓

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