UCSF

ZINC39259484

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 9 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) 1.92 4.89 -3.85 0 1 0 17 124.183 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0036136A1; EP0036626A1; US4439589; WO2000032709A1 IBM Patent Data

Activity (Go SEA)

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