UCSF

ZINC11569669

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2008 14 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) 2.52 1.38 -8.87 0 3 0 36 194.23 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0450097A1; EP0450097B1; US5559230; US5753677; US5985869; WO1994001113A1 IBM Patent Data

Activity (Go SEA)

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