UCSF

ZINC56871351

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2011 34 Yes

CAS Number: 58-58-2

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) -0.73 0.56 -15.8 5 12 0 161 471.518 8

Vendor Notes

Note Type Comments Provided By
Target Antifection Selleck Chemicals
Target Others Selleck Chemicals

Activity (Go SEA)

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

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