UCSF

ZINC12539317

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 20 Yes

Popular Name: 2-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylpyrimidine-4,6-diamine 2-[(1S)-1-(3-tert-butyl-1,2,4-ox…

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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) 2.68 2.63 -8.62 4 7 0 117 294.384 4 ↓
Lo Low (pH 4.5-6) 2.68 2.81 -32.98 5 7 1 118 295.392 4 ↓
Lo Low (pH 4.5-6) 2.68 3.1 -100.96 6 7 2 119 296.4 4 ↓

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