UCSF

ZINC04362787

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2005 17 Yes

Popular Name: 3-amino-N-phenylbenzenesulfonamide 3-amino-N-phenylbenzenesulfonamide

Find On: PubMed — Wikipedia — Google

CAS Numbers: , 80-21-7 , [80-21-7]

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) 1.75 2.28 -9.59 3 4 0 72 248.307 3 ↓
Hi High (pH 8-9.5) 1.75 2.33 -48.51 2 4 -1 74 247.299 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 127 - 129 Enamine Building Blocks
MP 127...129 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID US5006445 IBM Patent Data

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.