UCSF

ZINC62038960

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2011 31 No

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

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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) 4.61 6.38 -23.31 3 9 0 141 454.489 6 ↓
Hi High (pH 8-9.5) 5.07 5.69 -92.14 1 9 -2 147 452.473 6 ↓
Mid Mid (pH 6-8) 4.61 7.15 -43.95 2 9 -1 144 453.481 6 ↓

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

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