UCSF

ZINC36204716

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 24 Yes

Popular Name: 2-[[[(2S)-2-hydroxybutyl]-(3-methoxypropyl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-on 2-[[[(2S)-2-hydroxybutyl]-(3-met…

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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) 1.74 5.63 -49.44 3 6 1 80 354.496 9 ↓
Hi High (pH 8-9.5) 1.74 3.49 -12.77 2 6 0 78 353.488 9 ↓
Hi High (pH 8-9.5) 2.20 3.13 -42.82 2 6 0 83 353.488 9 ↓

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