UCSF

ZINC22112569

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 25 No

Other Names:

MFCD08062439

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) 5.09 10.99 -9.72 0 5 0 69 345.439 11

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5830441; WO1999036049A1 IBM Patent Data

Activity (Go SEA)

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