UCSF

ZINC62038979

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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-[[6-methyl-4-oxo-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]sulfany 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) 4.42 6.21 -24.64 3 9 0 141 474.545 6 ↓
Hi High (pH 8-9.5) 4.88 5.67 -91.54 1 9 -2 147 472.529 6 ↓
Mid Mid (pH 6-8) 4.42 6.98 -45.85 2 9 -1 144 473.537 6 ↓

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

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