UCSF

ZINC03831150

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 41 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) 7.89 0.24 -62.24 1 4 -1 73 585.189 12

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0480717A1; EP0480717B1; EP0737186A1; EP0737186B1; EP0805808A1; US5270324; US5523477; US5565473; US5614632; US5856322 IBM Patent Data

Activity (Go SEA)

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