UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

59382803
59382803
32917415
32917415

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Popular Name: 1-(4-{[3-(4-methylpiperidino)propyl]amino}piperidino)-1-ethanone 1-(4-{[3-(4-methylpiperidino)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) 1.33 7.95 -120.17 3 4 2 41 283.46 5 ↓
Hi High (pH 8-9.5) 1.33 5.7 -50.06 2 4 1 40 282.452 5 ↓
Mid Mid (pH 6-8) 1.33 6.75 -41.85 2 4 1 37 282.452 5 ↓

Analogs

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Popular Name: 1-methyl-N-[3-(1-piperidyl)propyl]piperidin-4-amine 1-methyl-N-[3-(1-piperidyl)propy…

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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) 1.73 7.35 -78.51 3 3 2 21 241.423 5 ↓

Analogs

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Popular Name: 1-isopropyl-N-[3-(1-piperidyl)propyl]piperidin-4-amine 1-isopropyl-N-[3-(1-piperidyl)pr…

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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) 2.40 8.33 -77.53 3 3 2 21 269.477 6 ↓

Analogs

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Popular Name: 1-ethyl-N-[3-(1-piperidyl)propyl]piperidin-4-amine 1-ethyl-N-[3-(1-piperidyl)propyl…

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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) 2.10 7.94 -77.95 3 3 2 21 255.45 6 ↓

Analogs

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Popular Name: N-[3-(1-piperidyl)propyl]-1-propyl-piperidin-4-amine N-[3-(1-piperidyl)propyl]-1-prop…

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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) 2.61 8.67 -79.03 3 3 2 21 269.477 7 ↓

Analogs

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Popular Name: N-[3-[(2R)-2-methyl-1-piperidyl]propyl]-1-prop-2-ynyl-piperidin-4-amine N-[3-[(2R)-2-methyl-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) 2.22 7.84 -106.2 3 3 2 24 279.472 6 ↓
Mid Mid (pH 6-8) 2.22 5.73 -40.59 2 3 1 23 278.464 6 ↓

Analogs

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Popular Name: N-[3-[(2S)-2-methyl-1-piperidyl]propyl]-1-prop-2-ynyl-piperidin-4-amine N-[3-[(2S)-2-methyl-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) 2.22 7.84 -106.25 3 3 2 24 279.472 6 ↓
Mid Mid (pH 6-8) 2.22 5.73 -40.66 2 3 1 23 278.464 6 ↓

Analogs

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Popular Name: 4-[3-[(2R)-2-methyl-1-piperidyl]propylamino]piperidine-1-carboxamide 4-[3-[(2R)-2-methyl-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) 1.33 5.32 -115.99 5 5 2 67 284.448 5 ↓
Hi High (pH 8-9.5) 1.33 4.12 -39.52 4 5 1 63 283.44 5 ↓
Mid Mid (pH 6-8) 1.33 3.16 -50.89 4 5 1 66 283.44 5 ↓

Analogs

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Popular Name: 4-[3-[(2S)-2-methyl-1-piperidyl]propylamino]piperidine-1-carboxamide 4-[3-[(2S)-2-methyl-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) 1.33 5.32 -116.2 5 5 2 67 284.448 5 ↓
Hi High (pH 8-9.5) 1.33 4.12 -39.8 4 5 1 63 283.44 5 ↓
Mid Mid (pH 6-8) 1.33 3.21 -50.73 4 5 1 66 283.44 5 ↓

Analogs

43445404
43445404
44657387
44657387
45663929
45663929
45666455
45666455

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Popular Name: ethyl ethyl

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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) 2.18 8.19 -116.27 3 5 2 51 299.459 7 ↓
Hi High (pH 8-9.5) 2.18 7 -38.82 2 5 1 46 298.451 7 ↓
Mid Mid (pH 6-8) 2.18 5.96 -48.91 2 5 1 49 298.451 7 ↓

Analogs

37786462
37786462
45664101
45664101
45684544
45684544

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Popular Name: N-[3-(1-piperidyl)propyl]-1-prop-2-ynyl-piperidin-4-amine N-[3-(1-piperidyl)propyl]-1-prop…

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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 7.36 -107.16 3 3 2 24 265.445 6 ↓
Mid Mid (pH 6-8) 1.89 5.13 -40.6 2 3 1 23 264.437 6 ↓

Analogs

45664102
45664102
45684550
45684550

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Popular Name: 1-(3-methylbut-2-enyl)-N-[3-(1-piperidyl)propyl]piperidin-4-amine 1-(3-methylbut-2-enyl)-N-[3-(1-p…

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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) 3.40 8.82 -105.2 3 3 2 24 295.515 7 ↓
Hi High (pH 8-9.5) 3.40 6.6 -38.81 2 3 1 23 294.507 7 ↓
Mid Mid (pH 6-8) 3.40 11.1 -186.41 4 3 3 25 296.523 7 ↓

Analogs

45664130
45664130
45684615
45684615

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Popular Name: 4-[3-(1-piperidyl)propylamino]piperidine-1-carboxamide 4-[3-(1-piperidyl)propylamino]pi…

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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) 1.00 4.84 -116.88 5 5 2 67 270.421 5 ↓
Hi High (pH 8-9.5) 1.00 3.63 -41.2 4 5 1 63 269.413 5 ↓
Mid Mid (pH 6-8) 1.00 2.61 -50.41 4 5 1 66 269.413 5 ↓

Analogs

42762829
42762829
42762833
42762833
43901712
43901712
43901715
43901715
43980758
43980758

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Popular Name: N-[3-(1-piperidyl)propyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine N-[3-(1-piperidyl)propyl]-1-(2,2…

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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) 2.65 7.38 -108.06 3 3 2 24 309.42 7 ↓
Hi High (pH 8-9.5) 2.65 6.19 -34.6 2 3 1 20 308.412 7 ↓
Mid Mid (pH 6-8) 2.65 5.16 -42.06 2 3 1 23 308.412 7 ↓

Analogs

44516699
44516699
44517816
44517816

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Popular Name: N-[3-(4-methyl-1-piperidyl)propyl]-1-prop-2-ynyl-piperidin-4-amine N-[3-(4-methyl-1-piperidyl)propy…

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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) 2.13 7.97 -108.72 3 3 2 24 279.472 6 ↓
Hi High (pH 8-9.5) 2.13 5.73 -40.61 2 3 1 23 278.464 6 ↓
Hi High (pH 8-9.5) 2.13 6.78 -35.07 2 3 1 20 278.464 6 ↓

Analogs

44516758
44516758
44517830
44517830

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Popular Name: 4-[3-(4-methyl-1-piperidyl)propylamino]piperidine-1-carboxamide 4-[3-(4-methyl-1-piperidyl)propy…

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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) 1.24 5.45 -118.52 5 5 2 67 284.448 5 ↓
Hi High (pH 8-9.5) 1.24 3.21 -50.29 4 5 1 66 283.44 5 ↓
Hi High (pH 8-9.5) 1.24 4.25 -42.07 4 5 1 63 283.44 5 ↓

Parameters Provided:

ring.id = 14834
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 = 14834 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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