UCSF

ZINC07262380

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2006 13 Yes

Popular Name: N-[4-(methylthio)benzyl]-1-propanamine N-[4-(methylthio)benzyl]-1-propa…

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CAS Number: 893586-96-4

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) 2.81 -0.25 -41.19 2 1 1 16 196.339 5 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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