UCSF

ZINC62038727

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2011 27 No

Popular Name: (2S)-2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(5-formyl-2-hydroxy-phenyl)pr (2S)-2-[(5,6-dimethyl-4-oxo-3H-t…

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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) 3.48 4.22 -18.74 3 7 0 112 403.485 5 ↓
Hi High (pH 8-9.5) 3.94 2.9 -47.84 2 7 -1 115 402.477 5 ↓
Hi High (pH 8-9.5) 3.48 4.99 -48.51 2 7 -1 115 402.477 5 ↓
Hi High (pH 8-9.5) 3.94 3.67 -93.32 1 7 -2 118 401.469 5 ↓

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

No pre-computed analogs available. Try a structural similarity search.