UCSF

ZINC47212486

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2010 16 Yes

CAS Number: 5957-98-2

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) 3.32 7.15 -5.89 0 1 0 13 223.197 2
Lo Low (pH 4.5-6) 3.32 7.61 -37.41 1 1 1 14 224.205 2

Vendor Notes

Note Type Comments Provided By
Purity 98% 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.