UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37786195
37786195

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Popular Name: N-(dicyclopropylmethyl)-1-methylpiperidin-4-amine N-(dicyclopropylmethyl)-1-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) 2.25 5.98 -32.39 2 2 1 20 209.357 4 ↓
Lo Low (pH 4.5-6) 2.25 8.4 -99.48 3 2 2 21 210.365 4 ↓

Analogs

37786195
37786195

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Popular Name: N-(dicyclopropylmethyl)-1-isopropyl-piperidin-4-amine N-(dicyclopropylmethyl)-1-isopro…

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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) 2.92 7.13 -32.08 2 2 1 20 237.411 5 ↓
Lo Low (pH 4.5-6) 2.92 9.38 -99.98 3 2 2 21 238.419 5 ↓

Analogs

37786195
37786195

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Popular Name: N-(dicyclopropylmethyl)-1-ethyl-piperidin-4-amine N-(dicyclopropylmethyl)-1-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) 2.62 6.43 -32.2 2 2 1 20 223.384 5 ↓
Lo Low (pH 4.5-6) 2.62 8.79 -99.19 3 2 2 21 224.392 5 ↓

Analogs

37786195
37786195

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Popular Name: N-(dicyclopropylmethyl)-1-propyl-piperidin-4-amine N-(dicyclopropylmethyl)-1-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) 3.12 7.16 -32.33 2 2 1 20 237.411 6 ↓
Lo Low (pH 4.5-6) 3.12 9.52 -101.1 3 2 2 21 238.419 6 ↓

Analogs

52507717
52507717
33414799
33414799

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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) 3.28 8.91 -40.66 2 4 1 46 295.447 6 ↓

Analogs

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

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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) 1.15 6.17 -37.47 2 4 1 40 280.436 6 ↓
Mid Mid (pH 6-8) 1.15 8.38 -105.82 3 4 2 41 281.444 6 ↓

Analogs

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Popular Name: N-(dicyclopropylmethyl)-1-prop-2-ynyl-piperidin-4-amine N-(dicyclopropylmethyl)-1-prop-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) 2.40 7.02 -34.57 2 2 1 20 233.379 5 ↓

Analogs

52274470
52274470
52274472
52274472
52274474
52274474
52274475
52274475

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Popular Name: N-(dicyclopropylmethyl)-1-(3-methylbut-2-enyl)piperidin-4-amine N-(dicyclopropylmethyl)-1-(3-met…

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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) 3.92 8.48 -32.87 2 2 1 20 263.449 6 ↓
Lo Low (pH 4.5-6) 3.92 10.76 -102.67 3 2 2 21 264.457 6 ↓

Analogs

52274610
52274610
52274613
52274613
52274614
52274614
52274617
52274617

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Popular Name: 4-(dicyclopropylmethylamino)piperidine-1-carboxamide 4-(dicyclopropylmethylamino)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) 1.52 4.15 -44.19 4 4 1 63 238.355 4 ↓

Analogs

52274705
52274705
52274707
52274707
52274709
52274709
52274710
52274710

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

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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) 3.17 6.7 -36.18 2 2 1 20 277.354 6 ↓

Parameters Provided:

ring.id = 26385
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 = 26385 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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