UCSF

ZINC43509336

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 20 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -1.96 -6.54 -151.47 4 9 -2 163 314.227 3
Mid Mid (pH 6-8) -1.96 -7.89 -52.05 5 9 -1 160 315.235 3

Vendor Notes

Note Type Comments Provided By
Melting_Point ca 138? Alfa-Aesar
Melting_Point ca 138° Alfa-Aesar

Activity (Go SEA)

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