UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: [(3S)-3-ethyl-3-piperidyl]-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone [(3S)-3-ethyl-3-piperidyl]-[(2R)…

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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) 1.59 5.67 -47.42 3 4 1 53 276.404 3 ↓

Analogs

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Popular Name: [(3R)-3-ethyl-3-piperidyl]-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone [(3R)-3-ethyl-3-piperidyl]-[(2R)…

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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) 1.59 5.85 -45.55 3 4 1 53 276.404 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-ethyl-3-piperidyl]-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone [(3S)-3-ethyl-3-piperidyl]-[(2S)…

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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) 1.59 5.91 -44.62 3 4 1 53 276.404 3 ↓

Analogs

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Popular Name: [(3R)-3-ethyl-3-piperidyl]-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone [(3R)-3-ethyl-3-piperidyl]-[(2S)…

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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) 1.59 5.62 -46.22 3 4 1 53 276.404 3 ↓

Analogs

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Popular Name: [(3S)-3-methyl-3-piperidyl]-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone [(3S)-3-methyl-3-piperidyl]-[(2R…

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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) 1.25 5.34 -45.55 3 4 1 53 262.377 2 ↓

Analogs

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Popular Name: [(3R)-3-methyl-3-piperidyl]-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone [(3R)-3-methyl-3-piperidyl]-[(2R…

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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) 1.25 5.38 -43.98 3 4 1 53 262.377 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-methyl-3-piperidyl]-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone [(3S)-3-methyl-3-piperidyl]-[(2S…

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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) 1.25 5.32 -44.8 3 4 1 53 262.377 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-3-methyl-3-piperidyl]-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone [(3R)-3-methyl-3-piperidyl]-[(2S…

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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) 1.25 5.31 -46.41 3 4 1 53 262.377 2 ↓

Analogs

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Popular Name: [(3S)-3-propyl-3-piperidyl]-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone [(3S)-3-propyl-3-piperidyl]-[(2R…

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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) 2.15 6.43 -47.61 3 4 1 53 290.431 4 ↓

Analogs

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Popular Name: [(3R)-3-propyl-3-piperidyl]-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone [(3R)-3-propyl-3-piperidyl]-[(2R…

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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) 2.15 6.61 -45.72 3 4 1 53 290.431 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-propyl-3-piperidyl]-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone [(3S)-3-propyl-3-piperidyl]-[(2S…

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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) 2.15 6.67 -44.9 3 4 1 53 290.431 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-3-propyl-3-piperidyl]-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone [(3R)-3-propyl-3-piperidyl]-[(2S…

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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) 2.15 6.4 -46.43 3 4 1 53 290.431 4 ↓

Analogs

48331738
48331738
48687232
48687232
48687233
48687233
48687235
48687235
48687236
48687236

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Popular Name: [(3R)-3-piperidyl]-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone [(3R)-3-piperidyl]-[(2S)-2-(1H-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) 1.01 5.11 -46.27 3 4 1 53 248.35 2 ↓

Analogs

48331738
48331738
48687232
48687232
48687233
48687233
48687235
48687235
48687236
48687236

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-3-piperidyl]-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone [(3R)-3-piperidyl]-[(2R)-2-(1H-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) 1.01 5.19 -48.05 3 4 1 53 248.35 2 ↓

Analogs

48331738
48331738
48687232
48687232
48687233
48687233
48687235
48687235
48687236
48687236

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-piperidyl]-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone [(3S)-3-piperidyl]-[(2S)-2-(1H-p…

Find On: PubMed — Wikipedia — Google

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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) 1.01 5.28 -48.38 3 4 1 53 248.35 2 ↓

Analogs

48331738
48331738
48687232
48687232
48687233
48687233
48687235
48687235
48687236
48687236

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-piperidyl]-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone [(3S)-3-piperidyl]-[(2R)-2-(1H-p…

Find On: PubMed — Wikipedia — Google

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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) 1.01 5 -46.28 3 4 1 53 248.35 2 ↓

Parameters Provided:

ring.id = 292377
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 = 292377 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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