UCSF

ZINC62038759

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2011 29 No

Popular Name: 2-[(1S)-2-(5-formyl-2-hydroxy-anilino)-1-methyl-2-oxo-ethyl]sulfanyl-5-methyl-4-oxo-3H-thieno[2,3-d] 2-[(1S)-2-(5-formyl-2-hydroxy-an…

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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) 3.07 4.04 -57.33 3 9 -1 152 432.459 6 ↓
Hi High (pH 8-9.5) 3.07 4.82 -92.69 2 9 -2 155 431.451 6 ↓
Hi High (pH 8-9.5) 3.53 2.84 -103.17 2 9 -2 155 431.451 6 ↓
Hi High (pH 8-9.5) 3.53 3.61 -153.85 1 9 -3 158 430.443 6 ↓

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

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