UCSF

ZINC63165789

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2011 14 Yes

Other Names:

MFCD18302362

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) 0.51 2.94 -98.08 4 4 2 50 201.314 4
Hi High (pH 8-9.5) 0.51 0.77 -44.22 3 4 1 49 200.306 4

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

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