UCSF

ZINC13401916

Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 32 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) 4.92 9.96 -59.35 1 5 -1 78 419.46 3
Lo Low (pH 4.5-6) 4.40 11.58 -12.08 2 5 0 71 420.468 3

Vendor Notes

Note Type Comments Provided By
mp 132 MolMall (formerly Molecular Diversity Preservation International)
mp 218 - 219 MolMall (formerly Molecular Diversity Preservation International)

Activity (Go SEA)

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

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