UCSF

ZINC05769804

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2006 18 Yes

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) 4.63 -2.49 -4.93 2 2 0 24 281.186 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4634793; US4692548; US4806647; US4859646 IBM Patent Data

Activity (Go SEA)

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