UCSF

ZINC05760996

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2006 12 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) 2.79 4.62 -4.19 0 2 0 18 166.22 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0232776A2; EP0233780A2; EP0365328A2; EP0365328B1; EP0389162A1; EP0389162B1; US4698338; US4775692; US5053415; US5086071; US5401768 IBM Patent Data
PUBCHEM_PATENT_ID EP0546298A2; EP0546298A3; EP0546298B1; EP0992498A1 IBM Patent Data

Activity (Go SEA)

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