UCSF

ZINC34518796

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 9 Yes

Other Names:

isobenzofuran

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) 2.07 4.8 -4.88 0 1 0 13 118.135 0

Vendor Notes

Note Type Comments Provided By
Patent Database Links EP0985662; EP1439187; EP1510510; EP1777214; US2002065230; US2002102612; US2003147845; US2004235023; US2005004160; US2005159470; US2005214249; US2005288281; US2006063761; US2006229303; US2006264634; US2007265248; US2008261963; US2008287490; WO2005011697; W ChEBI

Activity (Go SEA)

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