UCSF

ZINC27092646

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2009 15 Yes

Popular Name: 2,6-dichloro-N-(1H-imidazol-4-ylmethyl)aniline 2,6-dichloro-N-(1H-imidazol-4-yl…

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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) 2.68 5.99 -34.19 3 3 1 42 243.117 3 ↓
Mid Mid (pH 6-8) 2.68 6 -34.35 3 3 1 42 243.117 3 ↓
Mid Mid (pH 6-8) 2.68 5.55 -8.4 2 3 0 41 242.109 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z104304-2-O Adrenergic Receptor Alpha-1 (cluster #2 Of 3), Other Other 263 0.61 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104304 Z104304 Adrenergic Receptor Alpha-1 263 0.61 Binding ≤ 1μM
Z104304 Z104304 Adrenergic Receptor Alpha-1 263 0.61 Binding ≤ 10μM

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

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