UCSF

ZINC00477262

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 17 Yes

Other Names:

MFCD04212920

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) 0.63 6.07 -62.31 1 5 -1 72 239.295 2

Vendor Notes

Note Type Comments Provided By
MP 175 - 177 Enamine Building Blocks
MP 175...177 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID WO1999014998A2; WO1999062879A1; WO2000009125A1; WO2000016603A2 IBM Patent Data

Activity (Go SEA)

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