UCSF

ZINC14943789

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2008 34 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) 3.68 8.46 -15.35 2 7 0 83 454.53 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5380746; US5516915 IBM Patent Data

Activity (Go SEA)

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