UCSF

ZINC01734026

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 22 Yes

Popular Name: Deanol benzilate Deanol benzilate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 71-79-4 , 968-46-7

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) 2.20 1.62 -38.32 2 4 1 50 300.378 7 ↓

Vendor Notes

Note Type Comments Provided By
biological_use Antispasmodic ZereneX Building Blocks
biological_use Antirhinitic IBScreen Bioactives
biological_use Antispasmodic IBScreen Bioactives IBScreen Bioactives
biological_use Mydriatic IBScreen Bioactives
biological_use Spasmolytic IBScreen Bioactives

Activity (Go SEA)

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