UCSF

ZINC33953819

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2009 32 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) 0.32 12.05 -50.43 0 5 0 66 486.684 8

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0569005A3; EP0569005B1; EP0569009A1; EP0569009B1; EP0569010A3; EP0569010B1; US5246825; US5246826; US5246827 IBM Patent Data

Activity (Go SEA)

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