UCSF

ZINC41585096

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 33 No

Popular Name: (2Z)-2-[(2-bromophenyl)methylene]-6-hydroxy-4-methyl-7-[(4-phenylpiperazin-1-yl)methyl]benzofuran-3- (2Z)-2-[(2-bromophenyl)methylene…

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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) 5.66 12.98 -51.05 2 5 1 58 506.42 4 ↓
Mid Mid (pH 6-8) 5.66 13.54 -32.26 1 5 0 61 505.412 4 ↓
Mid Mid (pH 6-8) 5.66 10.72 -9.53 1 5 0 57 505.412 4 ↓
Mid Mid (pH 6-8) 5.66 11.31 -41.16 0 5 -1 60 504.404 4 ↓

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

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