UCSF

ZINC01599675

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 11 Yes

Other Names:

xi-Pinol

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) 2.79 0.65 -2.49 0 1 0 9 152.237 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0249984A2; EP0257131A2; EP0257131B1; EP0292674A2; EP0294767A1; EP0299494A2; EP0299494B1; EP0302297A1; EP0302297B1; EP0305688A1; EP0321957A2; EP0321957B1; EP0323629A2; EP0323629B1; EP0352362A1; EP0353318A1; EP0353319A1; EP0402958A1; EP0414128A1; EP082496 IBM Patent Data

Activity (Go SEA)

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