UCSF

ZINC04290949

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2005 16 Yes

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

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CAS Number: 717830-99-4

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) 1.62 2.17 -42.5 3 4 1 55 224.28 5 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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