UCSF

ZINC58592276

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2011 36 Yes

Popular Name: N-(3-methoxypropyl)-3-[[4-[1-(4-pyridylmethyl)piperidine-4-carbonyl]piperazin-1-yl]methyl]benzamide N-(3-methoxypropyl)-3-[[4-[1-(4-…

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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) 1.29 8.68 -56.25 2 8 1 79 494.66 10 ↓
Mid Mid (pH 6-8) 1.29 6.42 -17.38 1 8 0 78 493.652 10 ↓
Lo Low (pH 4.5-6) 1.29 10.88 -111.29 3 8 2 80 495.668 10 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
HRH3-2-E Histamine H3 Receptor (cluster #2 Of 3), Eukaryotic Eukaryotes 210 0.26 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
HRH3_CAVPO Q9JI35 Histamine H3 Receptor, Guinea Pig 210 0.26 Binding ≤ 1μM
HRH3_CAVPO Q9JI35 Histamine H3 Receptor, Guinea Pig 210 0.26 Binding ≤ 10μM

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