UCSF

ZINC05730183

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2006 21 Yes

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) 3.32 5.37 -15.16 1 4 0 60 282.295 2
Hi High (pH 8-9.5) 3.32 6.17 -43.9 0 4 -1 63 281.287 2

Vendor Notes

Note Type Comments Provided By
MP 282 - 284 Enamine Building Blocks
MP 282...284 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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