UCSF

ZINC03888666

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 13 Yes

Other Names:

MFCD06373465

ST-5458

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) 0.46 -0.53 -9.79 3 4 0 72 200.263 2

Vendor Notes

Note Type Comments Provided By
MP 133 - 137 Enamine Building Blocks
MP 134 - 136 Enamine Building Blocks
MP 134...136 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID EP0372315A1; EP0372315B1; US5041540; US5149789; US5245020 IBM Patent Data

Activity (Go SEA)

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