UCSF

ZINC34580852

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 22 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) -2.08 5.22 -65.66 2 9 -1 149 306.254 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO2000055134A1 IBM Patent Data

Activity (Go SEA)

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