UCSF

ZINC19738549

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 18 Yes

Popular Name: N-[4-(Isopentyloxy)benzyl]-2-butanamine N-[4-(Isopentyloxy)benzyl]-2-but…

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CAS Number: 1040692-71-4

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) 4.41 8.98 -38.38 2 2 1 26 250.406 8 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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