UCSF

ZINC66167066

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2011 16 Yes

Popular Name: N-[(4R)-4-(2-aminoethyl)-4,5-dihydro-1H-imidazol-2-yl]-6-methyl-pyridin-2-amine N-[(4R)-4-(2-aminoethyl)-4,5-dih…

Find On: PubMed — Wikipedia — Google

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) -0.43 4.58 -94.55 6 5 2 79 221.308 4 ↓
Mid Mid (pH 6-8) -0.43 4.07 -53.07 5 5 1 77 220.3 3 ↓
Mid Mid (pH 6-8) -0.43 3.48 -88.12 6 5 2 78 221.308 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
NISCH-2-E Nischarin (cluster #2 Of 4), Eukaryotic Eukaryotes 8509 0.44 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
NISCH_RAT Q4G017 Nischarin, Rat 8509 0.44 Binding ≤ 10μM

Rings

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

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