UCSF

ZINC13214362

Substance Information

In ZINC since Heavy atoms Benign functionality
June 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) 2.35 4.51 -4.77 0 4 0 59 217.022 1
Lo Low (pH 4.5-6) 2.35 4.8 -33.87 1 4 1 60 218.03 1

Vendor Notes

Note Type Comments Provided By
MP 64 - 66 Enamine Building Blocks
MP 64-66° Oakwood Chemical
MP 64...66 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific
Purity ¡Ý99% APIChem

Activity (Go SEA)

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

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