UCSF

ZINC66322943

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2011 32 Yes

CAS Number: 123447-62-1

Other Names:

QUISNON

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) -0.13 11.32 -77.39 0 9 -1 112 442.423 4
Mid Mid (pH 6-8) -0.13 13.54 -122.41 1 9 0 113 443.431 4
Lo Low (pH 4.5-6) -2.88 11.51 -103.89 2 9 1 116 444.439 3

Vendor Notes

Note Type Comments Provided By
Therapy antibacterial SMDC Pharmakon

Activity (Go SEA)

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

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