UCSF

ZINC12382830

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 11 Yes

Popular Name: 2-(isopropylthio)aniline 2-(isopropylthio)aniline

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CAS Numbers: 6397-33-7 , 861343-73-9 , [6397-33-7]

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) 2.55 -0.68 -3.18 2 1 0 26 167.277 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

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