UCSF

ZINC00127144

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 13 Yes

Popular Name: 4-(Methanesulfonylamino)benzonitrile 4-(Methanesulfonylamino)benzonit…

Find On: PubMed — Wikipedia — Google

CAS Number: 36268-67-4

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) 0.93 1.5 -13.34 1 4 0 70 196.231 2 ↓
Hi High (pH 8-9.5) 0.93 1.57 -33.84 0 4 -1 72 195.223 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 192-196? Alfa-Aesar
Melting_Point 192-196° Alfa-Aesar
MP 196 - 198 Enamine Building Blocks
MP 196...198 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem

Activity (Go SEA)

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