UCSF

ZINC38337196

Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2010 16 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) 1.14 5.2 -113.46 4 3 2 41 222.332 4
Hi High (pH 8-9.5) 1.14 2.91 -40.99 3 3 1 40 221.324 4
Hi High (pH 8-9.5) 1.14 4.72 -26.53 3 3 1 40 221.324 4

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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