UCSF

ZINC01719343

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 14 Yes

Popular Name: 2-[(Benzo[1,3]dioxol-5-ylmethyl)-amino]-ethanolhydrochloride 2-[(Benzo[1,3]dioxol-5-ylmethyl)…

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CAS Numbers: 40172-14-3 , 99075-94-2 , [99075-94-2]

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) 0.75 0.68 -44.3 3 4 1 55 196.226 4 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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