UCSF

ZINC03138910

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2004 13 No

Popular Name: DNC013455 DNC013455

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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) 2.40 -1.22 -11.8 1 2 0 15 259.172 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
UREA-1-E Urease (cluster #1 Of 2), Eukaryotic Eukaryotes 255 0.71 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
UREA_CANEN P07374 Urease, Canen 255 0.71 Binding ≤ 1μM
UREA_CANEN P07374 Urease, Canen 255 0.71 Binding ≤ 10μM

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

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