UCSF

ZINC45796268

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 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) 2.75 4.79 -10.69 1 3 0 38 272.142 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0484573A1; EP0484573B1; US5081117; US5260452; US5591864; US5726323 IBM Patent Data

Activity (Go SEA)

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