UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

26407737
26407737
26407740
26407740

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Popular Name: tert-butyl tert-butyl

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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 7.99 -47.1 2 7 1 76 366.482 7 ↓

Analogs

26407737
26407737
26407740
26407740

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Popular Name: tert-butyl tert-butyl

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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 8.01 -47.46 2 7 1 76 366.482 7 ↓

Analogs

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Popular Name: N-[2-(2-furyl)ethyl]-4-methyl-piperidine-4-carboxamide N-[2-(2-furyl)ethyl]-4-methyl-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) 1.26 3.78 -43.64 3 4 1 59 237.323 4 ↓

Analogs

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Popular Name: N-[(1S)-2-(2-furyl)-1-methyl-ethyl]-4-methyl-piperidine-4-carboxamide N-[(1S)-2-(2-furyl)-1-methyl-eth…

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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) 1.59 4.68 -39.86 3 4 1 59 251.35 4 ↓

Analogs

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Popular Name: N-[(1R)-2-(2-furyl)-1-methyl-ethyl]-4-methyl-piperidine-4-carboxamide N-[(1R)-2-(2-furyl)-1-methyl-eth…

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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) 1.59 4.72 -40.92 3 4 1 59 251.35 4 ↓

Analogs

40805622
40805622
40805624
40805624

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Popular Name: N-[(2S)-2-(dimethylamino)-2-(2-furyl)ethyl]-4-methyl-piperidine-4-carboxamide N-[(2S)-2-(dimethylamino)-2-(2-f…

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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) 1.07 5.32 -88.69 4 5 2 63 281.4 5 ↓

Analogs

40805622
40805622
40805624
40805624

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Popular Name: N-[(2R)-2-(dimethylamino)-2-(2-furyl)ethyl]-4-methyl-piperidine-4-carboxamide N-[(2R)-2-(dimethylamino)-2-(2-f…

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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) 1.07 5.35 -87.85 4 5 2 63 281.4 5 ↓

Analogs

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Popular Name: 4-ethyl-N-[2-(2-furyl)ethyl]piperidine-4-carboxamide 4-ethyl-N-[2-(2-furyl)ethyl]pipe…

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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) 1.60 4.2 -45.38 3 4 1 59 251.35 5 ↓

Analogs

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Popular Name: N-[2-(2-furyl)ethyl]-4-propyl-piperidine-4-carboxamide N-[2-(2-furyl)ethyl]-4-propyl-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) 2.15 4.96 -45.62 3 4 1 59 265.377 6 ↓

Analogs

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Popular Name: 4-ethyl-N-[(1S)-2-(2-furyl)-1-methyl-ethyl]piperidine-4-carboxamide 4-ethyl-N-[(1S)-2-(2-furyl)-1-me…

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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) 1.93 5.15 -40.85 3 4 1 59 265.377 5 ↓

Analogs

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Popular Name: 4-ethyl-N-[(1R)-2-(2-furyl)-1-methyl-ethyl]piperidine-4-carboxamide 4-ethyl-N-[(1R)-2-(2-furyl)-1-me…

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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) 1.93 5.21 -45.19 3 4 1 59 265.377 5 ↓

Analogs

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Popular Name: N-[(1S)-2-(2-furyl)-1-methyl-ethyl]-4-propyl-piperidine-4-carboxamide N-[(1S)-2-(2-furyl)-1-methyl-eth…

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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) 2.48 5.87 -43.2 3 4 1 59 279.404 6 ↓

Analogs

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Popular Name: N-[(1R)-2-(2-furyl)-1-methyl-ethyl]-4-propyl-piperidine-4-carboxamide N-[(1R)-2-(2-furyl)-1-methyl-eth…

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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) 2.48 5.97 -45.38 3 4 1 59 279.404 6 ↓

Analogs

40805622
40805622
40805624
40805624

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Popular Name: N-[(2S)-2-(dimethylamino)-2-(2-furyl)ethyl]-4-ethyl-piperidine-4-carboxamide N-[(2S)-2-(dimethylamino)-2-(2-f…

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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) 1.40 5.77 -89.86 4 5 2 63 295.427 6 ↓

Analogs

40805622
40805622
40805624
40805624

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(dimethylamino)-2-(2-furyl)ethyl]-4-ethyl-piperidine-4-carboxamide N-[(2R)-2-(dimethylamino)-2-(2-f…

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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) 1.40 6.01 -87.48 4 5 2 63 295.427 6 ↓

Analogs

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Popular Name: N-[2-(2-furyl)ethyl]-1-prop-2-ynyl-piperidine-4-carboxamide N-[2-(2-furyl)ethyl]-1-prop-2-yn…

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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) 1.44 4.51 -12.75 1 4 0 45 260.337 5 ↓
Mid Mid (pH 6-8) 1.44 6.79 -47.22 2 4 1 47 261.345 5 ↓

Analogs

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Popular Name: N-[2-(2-furyl)ethyl]-1-sulfamoyl-piperidine-4-carboxamide N-[2-(2-furyl)ethyl]-1-sulfamoyl…

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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) 0.04 -0.44 -21.24 3 7 0 106 301.368 5 ↓
Mid Mid (pH 6-8) 0.04 0.05 -49.1 2 7 -1 103 300.36 5 ↓

Parameters Provided:

ring.id = 178288
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 = 178288 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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