UCSF

ZINC33825276

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 22 Yes

Popular Name: 2,4-Pyrimidinediamine, 6-chloro-N(sup 4)-(2-(diethylamino)ethyl)-N(sup 2),N(sup 2)-diethyl-5-(methylthio)-, dihydrobromide; 2-Diethylamino-4-(2'-diethylamino)ethylamino-5-methylthio-6-chloropyrimidine dihydrobromide; 6-Chloro-N4-(2-(2-diethylamino)ethyl)- 2,4-Pyrimidinediamine, 6-chloro-…

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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) 3.87 11.89 -39.44 2 5 1 45 346.952 10 ↓
Hi High (pH 8-9.5) 3.87 9.75 -4.97 1 5 0 44 345.944 10 ↓

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