UCSF

ZINC13436496

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 11 No

Popular Name: N-(5-Chloro-pyridin-2-yl)-guanidine N-(5-Chloro-pyridin-2-yl)-guanidine

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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) 0.69 2.2 -7.47 4 4 0 77 170.603 1 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
UROK-4-E Urokinase-type Plasminogen Activator (cluster #4 Of 4), Eukaryotic Eukaryotes 10000 0.64 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
UROK_HUMAN P00749 Urokinase-type Plasminogen Activator, Human 10000 0.64 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Dissolution of Fibrin Clot

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

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