UCSF

ZINC05731721

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2006 17 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) 2.33 2.73 -16.45 2 4 0 71 228.203 0
Hi High (pH 8-9.5) 2.33 3.49 -43.29 1 4 -1 73 227.195 0

Vendor Notes

Note Type Comments Provided By
MP 294-302° (dec) Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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