UCSF

ZINC39277234

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 24 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) 5.59 10.21 -9.53 4 2 0 52 348.496 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5816939; WO2000038793A1; WO2000038794A1; WO2000038795A1 IBM Patent Data

Activity (Go SEA)

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