UCSF

ZINC33558982

Substance Information

In ZINC since Heavy atoms Benign functionality
July 12th, 2009 14 Yes

Other Names:

MFCD03412121

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) 0.56 4.16 -94.63 3 3 2 24 199.342 2
Hi High (pH 8-9.5) 0.56 3.78 -36.79 2 3 1 23 198.334 2

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID US6156752 IBM Patent Data

Activity (Go SEA)

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