UCSF

ZINC01393160

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 18 No

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) 2.03 -3.32 -9.62 1 4 0 41 268.744 3

Vendor Notes

Note Type Comments Provided By
melting_point 168 - 170 KeyOrganics
MP 189 - 191 Enamine Building Blocks
MP 189...191 Enamine Building Blocks
MP 190 - 191 Enamine Building Blocks
MP 191 - 191 Enamine Building Blocks
MP 191 - 193 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

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