UCSF

ZINC36338499

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 19 No

Popular Name: 1-heptyl-4-(1H-imidazol-4-ylmethyl)piperidine 1-heptyl-4-(1H-imidazol-4-ylmeth…

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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) 4.10 11.56 -85.52 3 3 2 34 265.445 8 ↓
Mid Mid (pH 6-8) 4.10 11.04 -35.78 2 3 1 33 264.437 8 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
HRH3-3-E Histamine H3 Receptor (cluster #3 Of 3), Eukaryotic Eukaryotes 2 0.64 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
HRH3_CAVPO Q9JI35 Histamine H3 Receptor, Guinea Pig 2 0.64 Binding ≤ 1μM
HRH3_CAVPO Q9JI35 Histamine H3 Receptor, Guinea Pig 2 0.64 Binding ≤ 10μM

Rings

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

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