UCSF

ZINC03844704

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 24 Yes

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) 6.13 0.19 -9.13 0 2 0 25 310.4 4

Vendor Notes

Note Type Comments Provided By
mp 118 MolMall (formerly Molecular Diversity Preservation International)
Melting_Point 124-128? Alfa-Aesar
Melting_Point 124-128° Alfa-Aesar

Activity (Go SEA)

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