UCSF

ZINC40873910

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 10 No

Popular Name: DNC013833 DNC013833

Find On: PubMed — Wikipedia — Google

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) -2.49 -5.57 -51.9 6 6 1 106 148.142 3 ↓
Hi High (pH 8-9.5) -2.49 -5.97 -13.67 5 6 0 104 147.134 3 ↓
Hi High (pH 8-9.5) -2.49 -4.76 -49.9 4 6 -1 107 146.126 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q0PXQ5-1-B Urease (cluster #1 Of 1), Bacterial Bacteria 790 0.85 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Q0PXQ5_HELPX Q0PXQ5 Urease, Helpx 790 0.85 Binding ≤ 1μM
Q0PXQ5_HELPX Q0PXQ5 Urease, Helpx 790 0.85 Binding ≤ 10μM

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

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