UCSF

ZINC19872890

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 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) 2.41 4.83 -39.11 0 4 -1 69 216.998 1
Lo Low (pH 4.5-6) 2.41 3.8 -10.66 1 4 0 66 218.006 1

Vendor Notes

Note Type Comments Provided By
MP 40-41° Oakwood Chemical
Purity 95+% Matrix Scientific
Purity 98% Fluorochem
Warnings IRRITANT Matrix Scientific
Warnings Irritant/Light Sensitive/Stored under Argon Matrix Scientific

Activity (Go SEA)

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

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