UCSF

ZINC34006839

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2009 20 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) 1.88 4.65 -7.77 2 5 0 71 316.188 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0877739A1; US5869512; US6103909; WO1997031903A1 IBM Patent Data

Activity (Go SEA)

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