UCSF

ZINC09707498

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2007 31 No

Popular Name: (4-chlorophenyl)-(3,3-dimethyl-2-oxo-butyl)-dimethyl-BLAHdione (4-chlorophenyl)-(3,3-dimethyl-2…

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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) 3.40 1.69 -13.43 0 9 0 94 442.907 4 ↓
Mid Mid (pH 6-8) 3.40 1.99 -41.29 1 9 1 95 443.915 4 ↓

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Rings

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

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