UCSF

ZINC96327768

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2014 0 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) 2.67 8.59 -85.76 5 4 2 68 310.854 8

Vendor Notes

Note Type Comments Provided By
MP 215 - 216 °C Fluorochem
Purity >98% Fluorochem

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.