UCSF

ZINC60117959

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2011 29 No

Popular Name: N'-[(Z)-(3-bromo-5-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]benzo[e]benzofuran-2-carbohydrazi N'-[(Z)-(3-bromo-5-nitro-4-oxo-c…

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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) 4.17 11 -44.57 2 8 0 117 454.236 4 ↓
Hi High (pH 8-9.5) 4.24 8.91 -51.48 1 8 -1 123 453.228 4 ↓
Lo Low (pH 4.5-6) 4.17 11.08 -82.52 3 8 1 122 455.244 4 ↓

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

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