UCSF

ZINC02528190

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 9 Yes

Popular Name: 1-Fluoro-2,4-dimethylbenzene 1-Fluoro-2,4-dimethylbenzene

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CAS Numbers: 452-64-2 , 452-65-3 , [452-65-3]

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) 2.93 5.86 -2.89 0 0 0 0 124.158 0 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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

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