UCSF

ZINC11582482

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2008 20 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) -1.09 -5.56 -19.41 6 10 0 152 282.26 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0607367A1; EP0609375A1; EP0719275A1; US5430027; US5432164; US5578582; US5589467; WO1993008206A1; WO1995007921A1; WO1997033590A1; WO1997033591A1; WO1998001459A1; WO1998016539A1 IBM Patent Data

Activity (Go SEA)

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