UCSF

ZINC04205974

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 13 No

Popular Name: 2-[(2,5-dimethylphenoxy)methyl]oxirane 2-[(2,5-dimethylphenoxy)methyl]o…

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CAS Number: 4287-29-0

Other Names:

MFCD06655561

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) 2.65 0.08 -6.31 0 2 0 22 178.231 3 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID EP0304503A1; EP0304503B1; EP0504732A2; EP0504732B1; US4833226; US4981889; US4983655 IBM Patent Data

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