UCSF

ZINC00759284

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 14 Yes

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) 0.07 4.76 -41.83 2 3 0 57 191.23 2
Hi High (pH 8-9.5) 2.76 8.17 -20.05 4 8 0 107 462.598 6

Vendor Notes

Note Type Comments Provided By
MP 207 - 209 Enamine Building Blocks
MP 207...209 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0788360A1; US5780454; US6066730; US6083903; WO1996013266A1 IBM Patent Data

Activity (Go SEA)

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