UCSF

ZINC62038751

Draw Identity 99% 90% 80% 70%

Substance Information

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

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

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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) 3.68 4.42 -19.01 3 7 0 112 403.485 6 ↓
Hi High (pH 8-9.5) 3.68 5.21 -48.62 2 7 -1 115 402.477 6 ↓
Hi High (pH 8-9.5) 4.14 2.96 -48.66 2 7 -1 115 402.477 6 ↓
Hi High (pH 8-9.5) 4.14 3.72 -94.02 1 7 -2 118 401.469 6 ↓

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

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