UCSF

ZINC52541572

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 36 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) 7.60 10.2 -53.33 0 6 0 77 462.516 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0624097A1; EP0624097B1; US5367080; US5523402; US5559214; US5677445; US5707603; US5760191; US5817774; WO1993021957A1; WO1999021587A1; WO1999039748A1 IBM Patent Data

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.