UCSF

ZINC22112792

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 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) 3.64 8.34 -9.69 0 3 0 43 214.305 11

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0446751A1; EP0456039A3; EP0464517A2; EP0464517A3; EP0474008A1; EP0481311A2; EP0481311A3; EP0499080A2; EP0499080A3; EP0501280A2; US5147857; US5328916; US5378691; US5401722 IBM Patent Data

Activity (Go SEA)

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