UCSF

ZINC13405219

Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 20 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) 4.41 10.35 -15.09 0 6 0 92 270.244 4

Vendor Notes

Note Type Comments Provided By
mp 182 - 183 MolMall (formerly Molecular Diversity Preservation International)

Activity (Go SEA)

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