UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

19259796
19259796
36075389
36075389

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Popular Name: 1-methyl-N-(4-pyrrolidin-1-ylphenyl)piperidin-4-amine 1-methyl-N-(4-pyrrolidin-1-ylphe…

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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) 3.39 8.22 -36.98 2 3 1 20 260.405 3 ↓

Analogs

19259796
19259796
32213249
32213249

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Popular Name: 1-isopropyl-N-(4-pyrrolidin-1-ylphenyl)piperidin-4-amine 1-isopropyl-N-(4-pyrrolidin-1-yl…

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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) 4.06 9.4 -34.55 2 3 1 20 288.459 4 ↓

Analogs

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Popular Name: 1-ethyl-N-(4-pyrrolidin-1-ylphenyl)piperidin-4-amine 1-ethyl-N-(4-pyrrolidin-1-ylphen…

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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) 3.76 8.88 -35.86 2 3 1 20 274.432 4 ↓

Analogs

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Popular Name: 1-propyl-N-(4-pyrrolidin-1-ylphenyl)piperidin-4-amine 1-propyl-N-(4-pyrrolidin-1-ylphe…

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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) 4.27 9.62 -36.61 2 3 1 20 288.459 5 ↓

Analogs

4004594
4004594

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Popular Name: (2R,4S,5R)-1,2,5-trimethyl-N-(4-pyrrolidin-1-ylphenyl)piperidin-4-amine (2R,4S,5R)-1,2,5-trimethyl-N-(4-…

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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) 4.19 9.4 -35.18 2 3 1 20 288.459 3 ↓

Analogs

4004594
4004594

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S,5R)-1,2,5-trimethyl-N-(4-pyrrolidin-1-ylphenyl)piperidin-4-amine (2S,4S,5R)-1,2,5-trimethyl-N-(4-…

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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) 4.19 9.74 -35.34 2 3 1 20 288.459 3 ↓

Analogs

4004594
4004594

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R,5R)-1,2,5-trimethyl-N-(4-pyrrolidin-1-ylphenyl)piperidin-4-amine (2R,4R,5R)-1,2,5-trimethyl-N-(4-…

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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) 4.19 9.11 -36.12 2 3 1 20 288.459 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R,5R)-1,2,5-trimethyl-N-(4-pyrrolidin-1-ylphenyl)piperidin-4-amine (2S,4R,5R)-1,2,5-trimethyl-N-(4-…

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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) 4.19 9.42 -35.74 2 3 1 20 288.459 3 ↓

Analogs

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Popular Name: 1-[4-(4-pyrrolidin-1-ylanilino)-1-piperidyl]ethanone 1-[4-(4-pyrrolidin-1-ylanilino)-…

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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 7.2 -10.49 1 4 0 36 287.407 3 ↓

Analogs

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Popular Name: 1-prop-2-ynyl-N-(4-pyrrolidin-1-ylphenyl)piperidin-4-amine 1-prop-2-ynyl-N-(4-pyrrolidin-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) 3.55 9.42 -37.92 2 3 1 20 284.427 4 ↓
Mid Mid (pH 6-8) 3.55 7.14 -4.37 1 3 0 19 283.419 4 ↓

Analogs

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Popular Name: 4-(4-pyrrolidin-1-ylanilino)piperidine-1-carboxamide 4-(4-pyrrolidin-1-ylanilino)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) 2.66 4.62 -10.81 3 5 0 62 288.395 3 ↓

Parameters Provided:

ring.id = 148309
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 = 148309 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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