UCSF

ZINC62038957

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Substance Information

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

Popular Name: N-(2-hydroxy-5-nitro-phenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-2-yl)sul 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) 3.87 5.31 -22.73 3 9 0 141 432.483 5 ↓
Hi High (pH 8-9.5) 4.32 4.71 -92.4 1 9 -2 147 430.467 5 ↓
Mid Mid (pH 6-8) 3.87 6.08 -43.91 2 9 -1 144 431.475 5 ↓

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

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