UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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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) 1.94 4.46 -11.15 1 7 0 71 369.506 6 ↓
Mid Mid (pH 6-8) 1.94 6.4 -46.79 2 7 1 72 370.514 6 ↓

Analogs

20682601
20682601
20684462
20684462
20686077
20686077

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Popular Name: 1-(dimethylsulfamoyl)-N-(2-morpholinoethyl)piperidine-4-carboxamide 1-(dimethylsulfamoyl)-N-(2-morph…

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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) -0.52 -0.74 -16.33 1 8 0 82 348.469 6 ↓

Analogs

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Popular Name: 4-methyl-N-(2-morpholinoethyl)piperidine-4-carboxamide 4-methyl-N-(2-morpholinoethyl)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) 0.08 0.35 -42.04 3 5 1 58 256.37 4 ↓
Mid Mid (pH 6-8) 0.08 2.62 -92.73 4 5 2 59 257.378 4 ↓

Analogs

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

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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) 0.41 1.49 -40.41 3 5 1 58 270.397 4 ↓
Mid Mid (pH 6-8) 0.41 3.87 -100.62 4 5 2 59 271.405 4 ↓

Analogs

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

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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) 0.41 1.44 -40.45 3 5 1 58 270.397 4 ↓
Mid Mid (pH 6-8) 0.41 3.83 -91.35 4 5 2 59 271.405 4 ↓

Analogs

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Popular Name: 4-methyl-N-(2-methyl-2-morpholino-propyl)piperidine-4-carboxamide 4-methyl-N-(2-methyl-2-morpholin…

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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 1.79 -40.67 3 5 1 58 284.424 4 ↓
Mid Mid (pH 6-8) 0.89 3.75 -89.71 4 5 2 59 285.432 4 ↓

Analogs

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Popular Name: 4-ethyl-N-(2-morpholinoethyl)piperidine-4-carboxamide 4-ethyl-N-(2-morpholinoethyl)pip…

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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) 0.41 0.84 -43.56 3 5 1 58 270.397 5 ↓
Mid Mid (pH 6-8) 0.41 3.11 -94.95 4 5 2 59 271.405 5 ↓

Analogs

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Popular Name: N-(2-morpholinoethyl)-4-propyl-piperidine-4-carboxamide N-(2-morpholinoethyl)-4-propyl-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) 0.97 1.59 -43.86 3 5 1 58 284.424 6 ↓
Mid Mid (pH 6-8) 0.97 3.86 -95.34 4 5 2 59 285.432 6 ↓

Analogs

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

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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) 0.74 1.98 -41.98 3 5 1 58 284.424 5 ↓
Mid Mid (pH 6-8) 0.74 4.32 -104.24 4 5 2 59 285.432 5 ↓

Analogs

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

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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) 0.74 1.94 -41.95 3 5 1 58 284.424 5 ↓
Mid Mid (pH 6-8) 0.74 4.27 -102.72 4 5 2 59 285.432 5 ↓

Analogs

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

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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) 1.30 3.29 -43.41 3 5 1 58 298.451 6 ↓
Mid Mid (pH 6-8) 1.30 5.28 -88.55 4 5 2 59 299.459 6 ↓

Analogs

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

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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) 1.30 2.7 -42.15 3 5 1 58 298.451 6 ↓
Mid Mid (pH 6-8) 1.30 5.03 -103.31 4 5 2 59 299.459 6 ↓

Analogs

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Popular Name: 4-ethyl-N-(2-methyl-2-morpholino-propyl)piperidine-4-carboxamide 4-ethyl-N-(2-methyl-2-morpholino…

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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) 1.22 2.27 -42.12 3 5 1 58 298.451 5 ↓
Mid Mid (pH 6-8) 1.22 4.25 -92.76 4 5 2 59 299.459 5 ↓

Analogs

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Popular Name: 1-butanoyl-N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]piperidine-4-carboxamide 1-butanoyl-N-[2-[(2S,6R)-2,6-dim…

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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) 1.58 4.21 -14.15 1 6 0 62 339.48 6 ↓
Mid Mid (pH 6-8) 1.58 6.48 -50.33 2 6 1 63 340.488 6 ↓

Analogs

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Popular Name: 1-butanoyl-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]piperidine-4-carboxamide 1-butanoyl-N-[2-[(2R,6R)-2,6-dim…

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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) 1.58 4.49 -13.97 1 6 0 62 339.48 6 ↓
Mid Mid (pH 6-8) 1.58 6.46 -49.79 2 6 1 63 340.488 6 ↓

Analogs

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Popular Name: 1-butanoyl-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]piperidine-4-carboxamide 1-butanoyl-N-[2-[(2S,6S)-2,6-dim…

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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) 1.58 4.49 -13.97 1 6 0 62 339.48 6 ↓
Mid Mid (pH 6-8) 1.58 6.45 -49.9 2 6 1 63 340.488 6 ↓

Analogs

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Popular Name: N-(2-cyanoethyl)-N-(2-morpholinoethyl)piperidine-4-carboxamide N-(2-cyanoethyl)-N-(2-morpholino…

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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) -0.80 3.29 -55.74 2 6 1 73 295.407 6 ↓
Mid Mid (pH 6-8) -0.80 5.55 -125.16 3 6 2 74 296.415 6 ↓

Analogs

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Popular Name: 1-acetyl-N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]piperidine-4-carboxamide 1-acetyl-N-[2-[(2S,6R)-2,6-dimet…

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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) 0.18 2.58 -17.42 1 6 0 62 311.426 4 ↓
Mid Mid (pH 6-8) 0.18 4.85 -55.56 2 6 1 63 312.434 4 ↓

Analogs

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Popular Name: 1-acetyl-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]piperidine-4-carboxamide 1-acetyl-N-[2-[(2S,6S)-2,6-dimet…

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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) 0.18 2.87 -17.23 1 6 0 62 311.426 4 ↓
Mid Mid (pH 6-8) 0.18 4.8 -55.06 2 6 1 63 312.434 4 ↓

Analogs

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Popular Name: 1-acetyl-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]piperidine-4-carboxamide 1-acetyl-N-[2-[(2R,6R)-2,6-dimet…

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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) 0.18 2.86 -17.16 1 6 0 62 311.426 4 ↓
Mid Mid (pH 6-8) 0.18 4.83 -54.97 2 6 1 63 312.434 4 ↓

Parameters Provided:

ring.id = 178202
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 = 178202 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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