UCSF

ZINC05819681

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2006 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) 2.86 2.38 -8.71 0 4 0 62 193.202 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0394058A1; EP0394058B1; US5126426; US5210286; US5336749 IBM Patent Data

Activity (Go SEA)

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