UCSF

ZINC09707502

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2007 30 No

Popular Name: (3,4-dichlorophenyl)methyl-dimethyl-tert-butyl-BLAHdione (3,4-dichlorophenyl)methyl-dimet…

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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) 4.64 1.32 -10.13 0 8 0 77 449.342 3 ↓
Mid Mid (pH 6-8) 4.64 1.76 -36.55 1 8 1 78 450.35 3 ↓

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Rings

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

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