UCSF

ZINC41584736

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 35 No

Popular Name: [(2Z)-2-[(3-chlorophenyl)methylene]-6-hydroxy-4-methyl-3-oxo-benzofuran-7-yl]methylBLAHone [(2Z)-2-[(3-chlorophenyl)methyle…

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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) 4.48 13.05 -59.7 2 6 1 77 489.979 3 ↓
Hi High (pH 8-9.5) 4.48 11.48 -42.14 0 6 -1 79 487.963 3 ↓
Mid Mid (pH 6-8) 4.48 10.91 -18.87 1 6 0 76 488.971 3 ↓
Mid Mid (pH 6-8) 4.48 13.63 -33.31 1 6 0 80 488.971 3 ↓

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

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