UCSF

ZINC39213585

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 32 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) 0.12 -7.69 -19.76 7 11 0 190 448.38 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0633022A2; EP0633022B1; EP0675115A1; EP0713645A1; EP0717039A1; EP0805148A1; EP0975222A1; EP1018881A1; US5229291; US5290752; US5650433; US5760033; US5847005; US5892048; US5942538; WO1998034483A1; WO1998034484A1 IBM Patent Data

Activity (Go SEA)

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

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