UCSF

ZINC09707551

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2007 32 No

Popular Name: (3-chlorophenyl)methyl-(4-fluorophenyl)-dimethyl-BLAHdione (3-chlorophenyl)methyl-(4-fluoro…

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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) 4.07 1.5 -10.63 0 8 0 77 452.877 3 ↓
Mid Mid (pH 6-8) 4.07 1.94 -37.85 1 8 1 78 453.885 3 ↓

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Rings

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

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