UCSF

ZINC04832953

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 6th, 2006 18 Yes

Popular Name: 2-Piperidinoethyl carbanilate hydrochloride; 2-Piperidinoethyl phenylcarbamate; Carbanilic acid, 2-(piperidinoethyl) ester, monohydrochloride; LS-51521 2-Piperidinoethyl carbanilate hy…

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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) 2.81 -0.02 -37.49 2 4 1 42 249.334 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
5HT4R-1-E Serotonin 4 (5-HT4) Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 32 0.58 Binding ≤ 10μM
Z50512-2-O Cavia Porcellus (cluster #2 Of 7), Other Other 1000 0.47 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
5HT4R_RAT Q62758 Serotonin 4 (5-HT4) Receptor, Rat 31.7 0.58 Binding ≤ 1μM
5HT4R_RAT Q62758 Serotonin 4 (5-HT4) Receptor, Rat 31.7 0.58 Binding ≤ 10μM
Z50512 Z50512 Cavia Porcellus 1000 0.47 Functional ≤ 10μM

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