UCSF

ZINC07996759

Substance Information

In ZINC since Heavy atoms Benign functionality
June 27th, 2006 21 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) 3.43 6.86 -6.05 1 2 0 37 290.447 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1995002424A1 IBM Patent Data

Activity (Go SEA)

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