UCSF

ZINC13545097

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 22 No

Popular Name: Ethoxyd Ethoxyd

Find On: PubMed — Wikipedia — Google

CAS Number: 1234-30-6

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) 4.59 7.83 -41.55 1 4 -1 43 315.418 7 ↓
Ref Reference (pH 7) 4.59 8.36 -42.09 1 4 -1 43 315.418 7 ↓
Mid Mid (pH 6-8) 4.59 8.07 -11.2 2 4 0 44 316.426 7 ↓
Mid Mid (pH 6-8) 4.59 8.74 -9.99 2 4 0 44 316.426 7 ↓

Vendor Notes

Note Type Comments Provided By
mechanism Thyroid hormone synthesis inhibitor ZereneX Building Blocks
biological_use Antiseptic IBScreen Bioactives
Warnings IRRITANT Matrix Scientific
mechanism Thyroid hormone synthesis inhibitor IBScreen Bioactives
biological_use Tuberculostatic IBScreen Bioactives IBScreen Bioactives

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Rings

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

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