UCSF

ZINC28382613

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2009 22 Yes

Popular Name: 6-[4-(2-dimethylaminoethyl)-5-ethyl-2-methoxy-phenyl]pyridin-2-amine 6-[4-(2-dimethylaminoethyl)-5-et…

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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) 3.45 8.84 -74.72 4 4 2 54 301.434 6 ↓
Hi High (pH 8-9.5) 3.45 6.27 -7.86 2 4 0 51 299.418 6 ↓
Mid Mid (pH 6-8) 3.45 8.74 -44.77 3 4 1 53 300.426 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
NOS1-1-E Nitric-oxide Synthase, Brain (cluster #1 Of 7), Eukaryotic Eukaryotes 75 0.45 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
NOS1_HUMAN P29475 Nitric-oxide Synthase, Brain, Human 75 0.45 Binding ≤ 1μM
NOS1_HUMAN P29475 Nitric-oxide Synthase, Brain, Human 75 0.45 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Nitric oxide stimulates guanylate cyclase
Phagosomal maturation (early endosomal stage)

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

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