UCSF

ZINC02569466

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 13 Yes

Other Names:

MFCD00797331

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) 1.13 3.56 -12.25 1 4 0 63 177.159 0

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID EP0027214A1; EP0059391A1; EP0100906A2; EP0197282A1; EP0283162A2; EP0283162B1; EP0305496A1; EP0547145A1; EP0549729A1; EP0549729B1; EP0550464A1; EP0828721A1; US4316839; US4346030; US4346031; US4346032; US4346033; US4346034; US4346035; US4346036; US4353827 IBM Patent Data

Activity (Go SEA)

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