UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

52273309
52273309
52273311
52273311
52273313
52273313
52273315
52273315
154091
154091

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Popular Name: tert-butyl 4-[(cyclopropylmethyl)amino]piperidine-1-carboxylate tert-butyl 4-[(cyclopropylmethyl…

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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) 2.42 6.88 -45.32 2 4 1 46 255.382 5 ↓

Analogs

52273309
52273309
52273311
52273311
52273313
52273313
52273315
52273315
154091
154091

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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) 2.75 7.21 -42.85 2 4 1 46 269.409 5 ↓

Analogs

52273309
52273309
52273311
52273311
52273313
52273313
52273315
52273315
154091
154091

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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) 2.75 7.21 -42.97 2 4 1 46 269.409 5 ↓

Analogs

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Popular Name: 4-(aminomethyl)-N-(cyclopropylmethyl)-N,1-diethyl-piperidin-4-amine 4-(aminomethyl)-N-(cyclopropylme…

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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 -26.9 3 3 1 34 240.415 6 ↓
Mid Mid (pH 6-8) 1.26 4.79 -105.93 4 3 2 35 241.423 6 ↓
Mid Mid (pH 6-8) 1.26 6.18 -93.08 4 3 2 35 241.423 6 ↓

Analogs

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Popular Name: 4-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-1-isopropyl-piperidin-4-amine 4-(aminomethyl)-N-(cyclopropylme…

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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) 1.56 4.34 -26.87 3 3 1 34 254.442 6 ↓
Mid Mid (pH 6-8) 1.56 6.7 -92.39 4 3 2 35 255.45 6 ↓
Mid Mid (pH 6-8) 1.56 4.83 -119.07 4 3 2 35 255.45 6 ↓

Analogs

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Popular Name: 4-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-1-propyl-piperidin-4-amine 4-(aminomethyl)-N-(cyclopropylme…

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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) 1.76 4.69 -28.75 3 3 1 34 254.442 7 ↓
Mid Mid (pH 6-8) 1.76 5.02 -118.9 4 3 2 35 255.45 7 ↓
Mid Mid (pH 6-8) 1.76 6.75 -95.32 4 3 2 35 255.45 7 ↓

Analogs

37826958
37826958
37827388
37827388

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Popular Name: 2-[4-(cyclopropylmethylamino)-1-piperidyl]-N,N-dimethyl-acetamide 2-[4-(cyclopropylmethylamino)-1-…

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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) 0.30 4.15 -41.54 2 4 1 40 240.371 5 ↓
Mid Mid (pH 6-8) 0.30 6.34 -106.14 3 4 2 41 241.379 5 ↓

Analogs

44516699
44516699
44517816
44517816
52274463
52274463
52274464
52274464
52274466
52274466

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Popular Name: N-(cyclopropylmethyl)-1-prop-2-ynyl-piperidin-4-amine N-(cyclopropylmethyl)-1-prop-2-y…

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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) 1.55 4.98 -38.53 2 2 1 20 193.314 4 ↓

Analogs

52274470
52274470
52274472
52274472
52274474
52274474
52274475
52274475

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Popular Name: N-(cyclopropylmethyl)-1-(3-methylbut-2-enyl)piperidin-4-amine N-(cyclopropylmethyl)-1-(3-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) 3.06 6.44 -36.71 2 2 1 20 223.384 5 ↓
Lo Low (pH 4.5-6) 3.06 8.72 -102.7 3 2 2 21 224.392 5 ↓

Analogs

44516758
44516758
44517830
44517830
52274610
52274610
52274613
52274613
52274614
52274614

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Popular Name: 4-(cyclopropylmethylamino)piperidine-1-carboxamide 4-(cyclopropylmethylamino)piperi…

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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) 0.66 2.45 -48.11 4 4 1 63 198.29 3 ↓

Analogs

42781944
42781944
42781959
42781959
42781960
42781960
52274705
52274705
52274707
52274707

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Popular Name: N-(cyclopropylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine N-(cyclopropylmethyl)-1-(2,2,2-t…

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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) 2.31 4.99 -39.86 2 2 1 20 237.289 5 ↓

Analogs

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Popular Name: N-[(1S)-1-cyclopropylethyl]-1-methyl-piperidin-4-amine N-[(1S)-1-cyclopropylethyl]-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) 1.72 5.37 -32.17 2 2 1 16 183.319 3 ↓
Mid Mid (pH 6-8) 1.72 3.97 -34.23 2 2 1 20 183.319 3 ↓
Lo Low (pH 4.5-6) 1.72 6.38 -98.41 3 2 2 21 184.327 3 ↓

Analogs

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Popular Name: N-[(1R)-1-cyclopropylethyl]-1-methyl-piperidin-4-amine N-[(1R)-1-cyclopropylethyl]-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) 1.72 5.37 -32.33 2 2 1 16 183.319 3 ↓
Mid Mid (pH 6-8) 1.72 3.98 -34.32 2 2 1 20 183.319 3 ↓
Lo Low (pH 4.5-6) 1.72 6.37 -98.5 3 2 2 21 184.327 3 ↓

Parameters Provided:

ring.id = 122383
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 = 122383 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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