UCSF

ZINC02577045

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 18 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) -2.94 -1.01 -119.98 0 6 -2 114 286.286 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0624630A1; EP0629667B1; EP0694053B1; EP0765918A3; EP0765918B1; EP0765965A2; EP0838504B1; EP0848042A3; EP0950692A1; EP0957135A1; US4474697; US5803930; US5810890; US5834601; US5925745; US6022956; US6060591; US6124441; WO1994024214A1 IBM Patent Data
PUBCHEM_PATENT_ID US5556987 IBM Patent Data

Activity (Go SEA)

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