UCSF

ZINC34533237

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 23 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) -0.76 -1.26 -21.37 5 10 0 149 323.309 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0547008A1; EP0651759A1; EP0977767A1; US5506351; US5914396; US6127533; WO1994002501A1; WO1998035978A1; WO2000008042A1; WO2000008214A1 IBM Patent Data

Activity (Go SEA)

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