UCSF

ZINC09708633

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2007 26 Yes

Popular Name: (2,5-dimethylphenyl)methyl-trimethyl-BLAHdione (2,5-dimethylphenyl)methyl-trime…

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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) 3.33 1.15 -12.77 0 7 0 74 352.394 2 ↓
Mid Mid (pH 6-8) 3.33 2.06 -35.04 1 7 1 75 353.402 2 ↓

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Rings

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

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