UCSF

ZINC15633213

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2008 3 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) 0.10 0.52 -33.34 2 1 1 17 46.093 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4026953 IBM Patent Data
PUBCHEM_PATENT_ID US4190595 IBM Patent Data

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.