UCSF

ZINC00293125

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2005 19 Yes

Popular Name: (3,4-Dimethoxy-benzyl)-pyridin-3-ylmethyl-amine (3,4-Dimethoxy-benzyl)-pyridin-3…

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CAS Numbers: 1050161-44-8 , 57342-19-5

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) 1.31 5.69 -53.72 2 4 1 48 259.329 6 ↓
Lo Low (pH 4.5-6) 1.31 5.97 -116.18 3 4 2 49 260.337 6 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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