UCSF

ZINC03958740

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2005 13 No

CAS Number: 552-32-9

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) 1.07 4.37 -9.23 1 5 0 75 180.163 2

Vendor Notes

Note Type Comments Provided By
MP 87 - 89 Enamine Building Blocks
MP 87...89 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks
Melting_Point 90-93? Alfa-Aesar
Melting_Point 90-93° Alfa-Aesar
MP 93 TCI
purity 95 Enamine Building Blocks
Purity 95% Fluorochem

Activity (Go SEA)

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