UCSF

ZINC00172185

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2005 19 Yes

Popular Name: (4-methoxybenzyl)[4-(methylthio)benzyl]amine (4-methoxybenzyl)[4-(methylthio)…

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CAS Number: 355381-56-5

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) 3.38 -0.15 -48.95 2 2 1 25 274.409 6 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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