UCSF

ZINC04093170

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 16 Yes

Popular Name: 3-(2,3-Dihydro-benzo[1,4]dioxin-6-ylamino)-propionic acid 3-(2,3-Dihydro-benzo[1,4]dioxin-…

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CAS Numbers: 436087-14-8 , [436087-14-8]

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) 0.82 3.9 -44.43 1 5 -1 71 222.22 4 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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