UCSF

ZINC05819900

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2006 11 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) 3.05 6.89 -4.53 0 2 0 26 158.241 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0958292A1; US4564619; US6165944; WO1998031682A1 IBM Patent Data

Activity (Go SEA)

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