UCSF

ZINC34530552

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 33 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) 4.21 11.33 -17.37 0 11 0 137 462.455 12

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0474129A2; EP0474129B1 IBM Patent Data

Activity (Go SEA)

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