UCSF

ZINC03885364

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 14 Yes

Popular Name: 5-Amino-2,N,N-trimethyl-benzenesulfonamide 5-Amino-2,N,N-trimethyl-benzenes…

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CAS Numbers: 6331-67-5 , [6331-67-5]

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) 0.70 0.84 -9.48 2 4 0 63 214.29 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 80 - 84 Enamine Building Blocks
MP 81 - 83 Enamine Building Blocks
MP 81...83 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID EP0372315B1; US5041540; US5149789; US5245020 IBM Patent Data
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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