UCSF

ZINC09707563

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2007 34 No

Popular Name: [2-(4-chlorophenyl)-2-oxo-ethyl]-(4-fluorophenyl)-dimethyl-BLAHdione [2-(4-chlorophenyl)-2-oxo-ethyl]…

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Download: MOL2 SDF SMILES Flexibase

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) 3.84 1.69 -15.17 0 9 0 94 480.887 4 ↓
Mid Mid (pH 6-8) 3.84 2 -45.29 1 9 1 95 481.895 4 ↓

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Rings

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

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