UCSF

ZINC36206319

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 29 Yes

Popular Name: 2-[[[(2S)-2-hydroxypentyl]-propyl-amino]methyl]-5-(4-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one 2-[[[(2S)-2-hydroxypentyl]-propy…

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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) 4.11 8.52 -52.1 3 6 1 80 416.567 10 ↓
Hi High (pH 8-9.5) 4.56 6.05 -41.8 2 6 0 83 415.559 10 ↓
Hi High (pH 8-9.5) 4.11 6.33 -12.71 2 6 0 78 415.559 10 ↓

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