UCSF

ZINC62038764

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Substance Information

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

Popular Name: 2-[(1R)-2-(5-formyl-2-hydroxy-anilino)-1-methyl-2-oxo-ethyl]sulfanyl-5-methyl-4-oxo-3H-thieno[2,3-d] 2-[(1R)-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) 2.32 0.25 -25.26 5 9 0 155 432.483 6 ↓
Hi High (pH 8-9.5) 2.78 -0.93 -45.93 4 9 -1 158 431.475 6 ↓
Hi High (pH 8-9.5) 2.78 -0.16 -90.16 3 9 -2 161 430.467 6 ↓

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

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