UCSF

ZINC76821021

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2012 52 No

Other Names:

MFCD01862248

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) 2.73 6.8 -93.92 7 14 2 182 751.012 7
Hi High (pH 8-9.5) 2.73 4.4 -42.31 6 14 1 181 750.004 7

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.