UCSF

ZINC00405758

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 12 Yes

Popular Name: 4-(Methylsulfonyl)benzene-1,2-diamine 4-(Methylsulfonyl)benzene-1,2-di…

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CAS Numbers: 21731-57-7 , [21731-57-7]

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) -0.30 -1.94 -11.9 4 4 0 86 186.236 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 125 - 127 Enamine Building Blocks
MP 125...127 Enamine Building Blocks
MP 138 - 140 Enamine Building Blocks
MP 138-140° Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

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