UCSF

ZINC13424710

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 34 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) 6.79 15.97 -9.31 0 4 0 43 444.534 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO2000032177A2; WO2000032201A2 IBM Patent Data

Activity (Go SEA)

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