UCSF

ZINC21988285

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 8 Yes

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) 1.66 2.12 -24.74 1 2 0 37 220.997 0
Mid Mid (pH 6-8) 1.66 1.03 -3.12 1 2 0 33 220.997 0
Mid Mid (pH 6-8) 1.66 1.65 -33.51 0 2 -1 36 219.989 0
Lo Low (pH 4.5-6) 1.66 1.5 -34.38 2 2 1 34 222.005 0

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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