UCSF

ZINC04574563

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2005 29 No

CAS Numbers: 55268-75-2 , 56238-63-2 , [56238-63-2]

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) -0.98 1.97 -68.17 3 12 -1 177 423.383 8

Vendor Notes

Note Type Comments Provided By
Indications antibiotic KeyOrganics Bioactives
PUBCHEM_PATENT_ID US4166115; US4364943 IBM Patent Data

Activity (Go SEA)

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