UCSF

ZINC02525422

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 11 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) 1.51 2.31 -11.28 1 4 0 66 157.1 1
Hi High (pH 8-9.5) 1.51 3.09 -33.64 0 4 -1 69 156.092 1

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific
Warnings Irritant-Harmful/Refrigerate/Stored under Argon Matrix Scientific
Warnings Irritant/Store in Freezer Matrix Scientific

Activity (Go SEA)

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

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