UCSF

ZINC05211760

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2006 7 Yes

Other Names:

MFCD00023850

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) 1.57 0.04 -1.77 0 1 0 9 100.161 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0177913A1; EP0393256A1; US4624696; US4835177; US4894392; US4923852; US4925831 IBM Patent Data

Activity (Go SEA)

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