UCSF

ZINC41584723

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 36 No

Popular Name: [(2Z)-2-[(2-chloro-6-fluoro-phenyl)methylene]-6-hydroxy-4-methyl-3-oxo-benzofuran-7-yl]methylBLAHone [(2Z)-2-[(2-chloro-6-fluoro-phen…

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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) 4.57 13.02 -58.6 2 6 1 77 507.969 3 ↓
Hi High (pH 8-9.5) 4.57 11.45 -46.84 0 6 -1 79 505.953 3 ↓
Mid Mid (pH 6-8) 4.57 10.88 -22.62 1 6 0 76 506.961 3 ↓
Mid Mid (pH 6-8) 4.57 13.6 -34.41 1 6 0 80 506.961 3 ↓

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

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