UCSF

ZINC91302260

Substance Information

In ZINC since Heavy atoms Benign functionality
May 31st, 2013 58 No

CAS Numbers: 80214-83-1 , [80214-83-1]

Other Names:

MFCD00214389

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.77 5.55 -42.46 6 17 1 218 838.066 13
Hi High (pH 8-9.5) 2.77 3.44 -12.87 5 17 0 217 837.058 13

Vendor Notes

Note Type Comments Provided By
Indications antibiotic KeyOrganics Bioactives

Activity (Go SEA)

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

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