UCSF

ZINC04655312

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2005 30 No

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) 2.88 -0.23 -12.44 1 5 0 72 418.505 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0069385A2; EP0227531A2; EP0901368A1; EP1054998A1; US4304765; US4432964; US4440777; US4478818; US4560553; US4762851; US4847250; US4970206; US5066648; US5795909; US5900249; WO1997015298A1; WO1997029735A1; WO1997044063A2; WO1999030690A1; WO1999036570A2; WO IBM Patent Data

Activity (Go SEA)

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