UCSF

ZINC14982269

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 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) 0.45 2.53 -9.51 0 2 0 29 173.997 0
Hi High (pH 8-9.5) 1.32 2.21 -32.48 0 2 -1 36 172.989 0
Lo Low (pH 4.5-6) 1.32 0.66 -31.39 2 2 1 34 175.005 0

Vendor Notes

Note Type Comments Provided By
Purity 95+% Matrix Scientific
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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