UCSF

ZINC39737966

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 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) 4.06 5.15 -2.96 2 2 0 40 306.49 0

Vendor Notes

Note Type Comments Provided By
mp 163 - 164 MolMall (formerly Molecular Diversity Preservation International)
mp 219.5 MolMall (formerly Molecular Diversity Preservation International)

Activity (Go SEA)

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