UCSF

ZINC62038976

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Substance Information

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

Popular Name: 2-[2-(2-hydroxy-5-nitro-anilino)-2-oxo-ethyl]sulfanyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-ca 2-[2-(2-hydroxy-5-nitro-anilino)…

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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) 2.12 0.05 -28.75 5 11 0 184 435.443 6 ↓
Hi High (pH 8-9.5) 2.58 -1.12 -50.64 4 11 -1 187 434.435 6 ↓
Hi High (pH 8-9.5) 2.58 -0.35 -87.23 3 11 -2 190 433.427 6 ↓

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

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