UCSF

ZINC38546668

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 14 Yes

Other Names:

MFCD09540489

MFCD14657344

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) 1.33 3.92 -10.41 2 4 0 58 187.202 2

Vendor Notes

Note Type Comments Provided By
MP 161 - 163 Enamine Building Blocks
MP 161...163 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID EP0900206A1; US6118008 IBM Patent Data

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.