UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37809771
37809771
37809780
37809780
37809786
37809786
46502092
46502092
46514089
46514089

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Popular Name: 3-(4-amino-1-piperidyl)-N-cyclohexyl-propanamide 3-(4-amino-1-piperidyl)-N-cycloh…

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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) 0.89 2.16 -48.45 4 4 1 60 254.398 4 ↓
Lo Low (pH 4.5-6) 0.89 4.39 -111.71 5 4 2 61 255.406 4 ↓

Analogs

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Popular Name: 1-[3-(cyclohexylamino)-3-oxo-propyl]-4-methyl-piperidine-4-carboxylic 1-[3-(cyclohexylamino)-3-oxo-pro…

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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) 1.89 7.97 -61.7 2 5 0 74 296.411 5 ↓

Analogs

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Popular Name: (3S)-1-[3-(cyclohexylamino)-3-oxo-propyl]-3-methyl-piperidine-3-carboxylic (3S)-1-[3-(cyclohexylamino)-3-ox…

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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) 1.89 8.15 -58.1 2 5 0 74 296.411 5 ↓
Hi High (pH 8-9.5) 1.89 6.3 -54.59 1 5 -1 72 295.403 5 ↓

Analogs

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Popular Name: (3R)-1-[3-(cyclohexylamino)-3-oxo-propyl]-3-methyl-piperidine-3-carboxylic (3R)-1-[3-(cyclohexylamino)-3-ox…

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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) 1.89 8.12 -57.92 2 5 0 74 296.411 5 ↓
Hi High (pH 8-9.5) 1.89 6.27 -54.82 1 5 -1 72 295.403 5 ↓

Analogs

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Popular Name: N-cyclohexyl-3-[4-[methyl(methylsulfonyl)amino]-1-piperidyl]propanamide N-cyclohexyl-3-[4-[methyl(methyl…

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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) 1.42 4.86 -53.19 2 6 1 71 346.517 6 ↓
Hi High (pH 8-9.5) 1.42 2.65 -15.9 1 6 0 70 345.509 6 ↓

Analogs

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Popular Name: 3-[4-(2-aminoethyl)-1-piperidyl]-N-cyclohexyl-propanamide 3-[4-(2-aminoethyl)-1-piperidyl]…

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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) 1.66 5.76 -98.98 5 4 2 61 283.46 6 ↓

Analogs

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Popular Name: N-cyclohexyl-3-[4-[2-(methylamino)ethyl]-1-piperidyl]propanamide N-cyclohexyl-3-[4-[2-(methylamin…

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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) 2.64 7.64 -95.14 4 4 2 50 297.487 7 ↓

Analogs

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Popular Name: N-cyclohexyl-3-[(2S)-2-[2-(methylamino)ethyl]-1-piperidyl]propanamide N-cyclohexyl-3-[(2S)-2-[2-(methy…

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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) 2.58 7.46 -101.48 4 4 2 50 297.487 7 ↓
Mid Mid (pH 6-8) 2.58 5.87 -40.49 3 4 1 49 296.479 7 ↓

Analogs

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Popular Name: N-cyclohexyl-3-[(2R)-2-[2-(methylamino)ethyl]-1-piperidyl]propanamide N-cyclohexyl-3-[(2R)-2-[2-(methy…

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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) 2.58 7.45 -101.41 4 4 2 50 297.487 7 ↓
Mid Mid (pH 6-8) 2.58 5.33 -39.86 3 4 1 49 296.479 7 ↓

Parameters Provided:

ring.id = 110372
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 110372 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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