UCSF

ZINC62038739

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2011 32 No

Popular Name: (2S)-2-[[5-(4-fluorophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(5-formyl-2-hydroxy-phe (2S)-2-[[5-(4-fluorophenyl)-4-ox…

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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) 4.77 6.51 -20.14 3 7 0 112 469.519 6 ↓
Hi High (pH 8-9.5) 5.23 6.03 -91.14 1 7 -2 118 467.503 6 ↓
Hi High (pH 8-9.5) 5.23 5.26 -45.02 2 7 -1 115 468.511 6 ↓

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

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