UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

32103329
32103329
34972494
34972494

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Popular Name: 1-phenyl-4-(piperidin-4-ylmethyl)piperazine 1-phenyl-4-(piperidin-4-ylmethyl…

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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) 2.14 -2.56 -100.89 3 3 2 24 261.413 3 ↓

Analogs

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Popular Name: 1-(4-fluorophenyl)-4-(4-piperidylmethyl)piperazine 1-(4-fluorophenyl)-4-(4-piperidy…

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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) 2.30 -1.82 -105.27 3 3 2 24 279.403 3 ↓

Analogs

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Popular Name: 1-(m-tolyl)-4-(4-piperidylmethyl)piperazine 1-(m-tolyl)-4-(4-piperidylmethyl…

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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) 2.56 -2.24 -101.08 3 3 2 24 275.44 3 ↓

Analogs

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Popular Name: 1-(2,3-dimethylphenyl)-4-(4-piperidylmethyl)piperazine 1-(2,3-dimethylphenyl)-4-(4-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) 2.94 -1.18 -100.61 3 3 2 24 289.467 3 ↓

Analogs

36156146
36156146

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Popular Name: 1-(3-chlorophenyl)-4-(4-piperidylmethyl)piperazine 1-(3-chlorophenyl)-4-(4-piperidy…

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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) 2.79 -2.71 -102.65 3 3 2 24 295.858 3 ↓

Analogs

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Popular Name: 1-(2-fluorophenyl)-4-(4-piperidylmethyl)piperazine 1-(2-fluorophenyl)-4-(4-piperidy…

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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) 2.26 -2.05 -97.57 3 3 2 24 279.403 3 ↓

Analogs

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Popular Name: 4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]piperidin-4-ol 4-[[4-(4-chlorophenyl)piperazin-…

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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) 1.87 4.6 -45.1 3 4 1 43 310.849 3 ↓
Mid Mid (pH 6-8) 1.87 6.33 -107.43 4 4 2 45 311.857 3 ↓

Analogs

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Popular Name: 1-[(4-methyl-4-piperidyl)methyl]-4-phenyl-piperazine 1-[(4-methyl-4-piperidyl)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) 2.38 8.46 -101.77 3 3 2 24 275.44 3 ↓
Mid Mid (pH 6-8) 2.38 6.73 -41.14 2 3 1 23 274.432 3 ↓

Analogs

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Popular Name: 1-(4-fluorophenyl)-4-[(4-methyl-4-piperidyl)methyl]piperazine 1-(4-fluorophenyl)-4-[(4-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) 2.55 8.53 -106.68 3 3 2 24 293.43 3 ↓
Mid Mid (pH 6-8) 2.55 6.79 -42.73 2 3 1 23 292.422 3 ↓

Analogs

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Popular Name: 1-[(4-methyl-4-piperidyl)methyl]-4-(m-tolyl)piperazine 1-[(4-methyl-4-piperidyl)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) 2.81 9.12 -101.95 3 3 2 24 289.467 3 ↓
Mid Mid (pH 6-8) 2.81 7.65 -40.95 2 3 1 23 288.459 3 ↓

Analogs

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Popular Name: 1-(3-chlorophenyl)-4-[(4-methyl-4-piperidyl)methyl]piperazine 1-(3-chlorophenyl)-4-[(4-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) 3.04 8.97 -104.59 3 3 2 24 309.885 3 ↓
Mid Mid (pH 6-8) 3.04 7.25 -42.1 2 3 1 23 308.877 3 ↓

Analogs

34940090
34940090

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Popular Name: 1-(2-chlorophenyl)-4-[(4-methyl-4-piperidyl)methyl]piperazine 1-(2-chlorophenyl)-4-[(4-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) 3.01 9.66 -98.91 3 3 2 24 309.885 3 ↓
Mid Mid (pH 6-8) 3.01 7.93 -39.52 2 3 1 23 308.877 3 ↓

Analogs

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Popular Name: 1-(4-chlorophenyl)-4-[(4-methyl-4-piperidyl)methyl]piperazine 1-(4-chlorophenyl)-4-[(4-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) 3.06 8.99 -105.45 3 3 2 24 309.885 3 ↓
Mid Mid (pH 6-8) 3.06 7.26 -41.83 2 3 1 23 308.877 3 ↓

Analogs

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Popular Name: 1-(2-fluorophenyl)-4-[(4-methyl-4-piperidyl)methyl]piperazine 1-(2-fluorophenyl)-4-[(4-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) 2.50 8.98 -99.77 3 3 2 24 293.43 3 ↓
Mid Mid (pH 6-8) 2.50 7.25 -40.76 2 3 1 23 292.422 3 ↓

Analogs

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Popular Name: 1-[(4-ethyl-4-piperidyl)methyl]-4-phenyl-piperazine 1-[(4-ethyl-4-piperidyl)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) 2.72 8.99 -102.54 3 3 2 24 289.467 4 ↓
Mid Mid (pH 6-8) 2.72 8.95 -41.35 2 3 1 23 288.459 4 ↓

Analogs

36156141
36156141

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Popular Name: 1-(4-chlorophenyl)-4-(4-piperidylmethyl)piperazine 1-(4-chlorophenyl)-4-(4-piperidy…

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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) 2.82 8.84 -106.05 3 3 2 24 295.858 3 ↓
Mid Mid (pH 6-8) 2.82 6.92 -40.54 2 3 1 23 294.85 3 ↓

Parameters Provided:

ring.id = 45105
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 = 45105 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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