UCSF

ZINC19737845

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 17 Yes

Popular Name: N-(2-Butoxybenzyl)-2-methyl-2-propanamine N-(2-Butoxybenzyl)-2-methyl-2-pr…

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CAS Number: 1040689-79-9

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) 4.13 8.09 -31.19 2 2 1 26 236.379 7 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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