UCSF

ZINC04235210

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 17 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) 2.44 0.85 -21.76 1 5 0 74 232.239 3

Vendor Notes

Note Type Comments Provided By
mp 187.5 - 189.5 MolMall (formerly Molecular Diversity Preservation International)
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.