UCSF

ZINC13401909

Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 31 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) 3.94 7.84 -118.32 1 7 -2 118 412.401 4
Lo Low (pH 4.5-6) 3.42 10.44 -57.36 2 7 -1 111 413.409 4

Vendor Notes

Note Type Comments Provided By
mp 138 - 142 MolMall (formerly Molecular Diversity Preservation International)
mp 177 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.