UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-[(2S)-2-piperidyl]cyclopentanol 1-[(2S)-2-piperidyl]cyclopentanol

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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) 1.83 2.57 -32.14 3 2 1 37 170.276 1 ↓

Analogs

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Popular Name: 1-[(2R)-2-piperidyl]cyclopentanol 1-[(2R)-2-piperidyl]cyclopentanol

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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) 1.83 2.53 -32.29 3 2 1 37 170.276 1 ↓

Analogs

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Popular Name: 1-[(2S,4R)-4-methyl-2-piperidyl]cyclopentanol 1-[(2S,4R)-4-methyl-2-piperidyl]…

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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) 2.07 3.19 -32.94 3 2 1 37 184.303 1 ↓

Analogs

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Popular Name: 1-[(2S,4S)-4-methyl-2-piperidyl]cyclopentanol 1-[(2S,4S)-4-methyl-2-piperidyl]…

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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) 2.07 2.96 -32.25 3 2 1 37 184.303 1 ↓

Analogs

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Popular Name: 1-[(2R,4R)-4-methyl-2-piperidyl]cyclopentanol 1-[(2R,4R)-4-methyl-2-piperidyl]…

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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) 2.07 2.93 -32.45 3 2 1 37 184.303 1 ↓

Analogs

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Popular Name: 1-[(2R,4S)-4-methyl-2-piperidyl]cyclopentanol 1-[(2R,4S)-4-methyl-2-piperidyl]…

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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) 2.07 3.15 -33.14 3 2 1 37 184.303 1 ↓

Analogs

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Popular Name: 1-[(2S,4R)-4-ethyl-2-piperidyl]cyclopentanol 1-[(2S,4R)-4-ethyl-2-piperidyl]c…

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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) 2.76 3.85 -33.35 3 2 1 37 198.33 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S,4S)-4-ethyl-2-piperidyl]cyclopentanol 1-[(2S,4S)-4-ethyl-2-piperidyl]c…

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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) 2.76 3.58 -32.95 3 2 1 37 198.33 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R,4R)-4-ethyl-2-piperidyl]cyclopentanol 1-[(2R,4R)-4-ethyl-2-piperidyl]c…

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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) 2.76 3.54 -33.08 3 2 1 37 198.33 2 ↓

Analogs

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Popular Name: 1-[(2R,4S)-4-ethyl-2-piperidyl]cyclopentanol 1-[(2R,4S)-4-ethyl-2-piperidyl]c…

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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) 2.76 3.81 -33.56 3 2 1 37 198.33 2 ↓

Analogs

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Popular Name: (2S,4R)-2-cyclopentyl-4-methyl-piperidine (2S,4R)-2-cyclopentyl-4-methyl-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) 3.02 6.36 -34.96 2 1 1 17 168.304 1 ↓

Analogs

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Popular Name: (2S,4S)-2-cyclopentyl-4-methyl-piperidine (2S,4S)-2-cyclopentyl-4-methyl-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) 3.02 6.13 -34.55 2 1 1 17 168.304 1 ↓

Analogs

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Popular Name: (2R,4R)-2-cyclopentyl-4-methyl-piperidine (2R,4R)-2-cyclopentyl-4-methyl-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) 3.02 6.3 -33.31 2 1 1 17 168.304 1 ↓

Analogs

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Popular Name: (2R,4S)-2-cyclopentyl-4-methyl-piperidine (2R,4S)-2-cyclopentyl-4-methyl-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) 3.02 6.53 -33.75 2 1 1 17 168.304 1 ↓

Analogs

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Popular Name: (2S,4R)-2-cyclopentyl-4-ethyl-piperidine (2S,4R)-2-cyclopentyl-4-ethyl-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) 3.70 7.02 -35.49 2 1 1 17 182.331 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-2-cyclopentyl-4-ethyl-piperidine (2S,4S)-2-cyclopentyl-4-ethyl-pi…

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Activity (Go SEA)

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) 3.70 6.75 -35.22 2 1 1 17 182.331 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-2-cyclopentyl-4-ethyl-piperidine (2R,4R)-2-cyclopentyl-4-ethyl-pi…

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Activity (Go SEA)

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) 3.70 6.92 -33.95 2 1 1 17 182.331 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-2-cyclopentyl-4-ethyl-piperidine (2R,4S)-2-cyclopentyl-4-ethyl-pi…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.70 7.18 -34.28 2 1 1 17 182.331 2 ↓

Parameters Provided:

ring.id = 477309
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 = 477309 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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