UCSF

ZINC05725517

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2006 12 No

Other Names:

MFCD02251723

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) -1.61 -0.58 -14.73 2 5 0 80 170.168 3
Hi High (pH 8-9.5) -0.27 -4.04 -48.74 3 5 -1 91 169.16 3

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID EP0248630A2; EP0250119A2; EP0267690A1; EP0316919A2; EP0316919B1; US5223440; US5281522; WO1992010585A1 IBM Patent Data

Activity (Go SEA)

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