UCSF

ZINC13412576

Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 27 No

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) 2.27 7.4 -21.05 2 6 0 93 370.401 9
Hi High (pH 8-9.5) 3.02 6.47 -57.73 2 6 -1 99 369.393 8

Vendor Notes

Note Type Comments Provided By
UniProt Database Links CURA_ECOLI ChEBI

Activity (Go SEA)

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

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