UCSF

ZINC12574900

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2008 22 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) 0.68 12.53 -37.77 0 3 1 26 334.226 3
Ref Reference (pH 7) 0.68 12.51 -37.82 0 3 1 26 334.226 3

Vendor Notes

Note Type Comments Provided By
mp 160 - 167 MolMall (formerly Molecular Diversity Preservation International)

Activity (Go SEA)

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