UCSF

ZINC37982484

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 17 No

Popular Name: 3-({[(3-bromophenyl)methyl]amino}methyl)-1$l^{6}-thiolane-1,1-dione 3-({[(3-bromophenyl)methyl]amino…

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CAS Number: 1182742-28-4

Other Names:

MFCD13239910

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) 2.18 4.55 -67.12 2 3 1 51 319.244 4 ↓

Vendor Notes

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

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