UCSF

ZINC00373446

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2005 21 Yes

Popular Name: 3-[(2,5-dimethylphenoxy)methyl]-4-methoxybenzoic acid 3-[(2,5-dimethylphenoxy)methyl]-…

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CAS Numbers: , 438220-45-2

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) 4.31 1.9 -55.32 0 4 -1 58 285.319 5 ↓

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

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