UCSF

ZINC44236412

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 15 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) 0.51 4.37 -44.93 3 5 1 80 218.273 9

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0254080B1 IBM Patent Data

Activity (Go SEA)

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