UCSF

ZINC66054459

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2011 20 Yes

Popular Name: tert-Butyl ((7-chloro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)methyl)carbamate tert-Butyl ((7-chloro-2,3-dihydr…

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CAS Number: 1346447-18-4

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) 2.31 1.44 -8.68 1 6 0 70 300.742 4 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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Rings

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

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