UCSF

ZINC34039245

Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2009 38 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) 5.47 14.5 -46.96 3 5 1 71 516.702 11

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1994003170A1 IBM Patent Data

Activity (Go SEA)

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