UCSF

ZINC04293067

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2005 35 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) 5.96 6.38 -12.92 0 6 0 78 490.681 9

Vendor Notes

Note Type Comments Provided By
mp 115.5 - 116 MolMall (formerly Molecular Diversity Preservation International)

Activity (Go SEA)

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