UCSF

ZINC04293536

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2005 15 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) 1.30 6.48 -45.1 0 4 -1 66 211.168 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0442754A2; EP0442754B1; EP0789578A1; US5101068; US5210272; US5344939; US5614649; US5830870; US5990083; WO1996014857A1 IBM Patent Data

Activity (Go SEA)

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