UCSF

ZINC01847621

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 20 Yes

Popular Name: [2-(4-Methoxy-phenyl)-ethyl]-(4-methylsulfanyl-benzyl)-amine [2-(4-Methoxy-phenyl)-ethyl]-(4-…

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CAS Number: 331970-71-9

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) 3.79 9.36 -49.66 2 2 1 26 288.436 7 ↓
Mid Mid (pH 6-8) 3.79 8 -5.36 1 2 0 21 287.428 7 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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