UCSF

ZINC45368064

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2010 19 Yes

Popular Name: 5-chloro-6-hydroxy-N-(2-morpholinoethyl)pyridine-3-carboxamide 5-chloro-6-hydroxy-N-(2-morpholi…

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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) 0.04 -0.47 -13.28 2 6 0 74 285.731 4 ↓
Hi High (pH 8-9.5) 0.50 -2.51 -42.65 1 6 -1 78 284.723 4 ↓
Mid Mid (pH 6-8) 0.04 1.79 -52.34 3 6 1 76 286.739 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AOFA-2-E Monoamine Oxidase A (cluster #2 Of 8), Eukaryotic Eukaryotes 45 0.54 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AOFA_RAT P21396 Monoamine Oxidase A, Rat 45 0.54 Binding ≤ 1μM
AOFA_RAT P21396 Monoamine Oxidase A, Rat 45 0.54 Binding ≤ 10μM

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

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