UCSF

ZINC02548095

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 8 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) 3.06 4.52 -26.6 1 1 1 14 130.236 2
Hi High (pH 8-9.5) 3.06 4.04 -1.71 0 1 0 12 129.228 2

Vendor Notes

Note Type Comments Provided By
BP 164-167° Fluorochem
Purity 99% Fluorochem
Warnings IRRITANT-HARMFUL Matrix Scientific

Activity (Go SEA)

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

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