UCSF

ZINC04428393

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2005 27 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) 3.56 3.47 -11.51 0 4 0 60 372.505 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP1057478A2 IBM Patent Data

Activity (Go SEA)

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