UCSF

ZINC13608489

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 12 Yes

Popular Name: 4-(aminomethyl)-N-cyclopropyl-pyridin-3-amine 4-(aminomethyl)-N-cyclopropyl-py…

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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) 0.20 1.41 -48.18 4 3 1 53 164.232 3 ↓
Lo Low (pH 4.5-6) 0.20 1.7 -99.94 5 3 2 54 165.24 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ABP1-1-E Diamine Oxidase (cluster #1 Of 4), Eukaryotic Eukaryotes 5000 0.62 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ABP1_HUMAN P19801 Diamine Oxidase, Human 5000 0.62 Binding ≤ 10μM

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

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