UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[(1S)-cyclopent-2-en-1-yl]-1-[(2S,6R)-2,6-dimethylpiperazin-1-yl]ethanone 2-[(1S)-cyclopent-2-en-1-yl]-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) 1.18 5.38 -47.42 2 3 1 37 223.34 2 ↓
Mid Mid (pH 6-8) 1.18 4.06 -6.55 1 3 0 32 222.332 2 ↓

Analogs

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Popular Name: 2-[(1S)-cyclopent-2-en-1-yl]-1-[(2S,6S)-2,6-dimethylpiperazin-1-yl]ethanone 2-[(1S)-cyclopent-2-en-1-yl]-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) 1.18 5.9 -47.65 2 3 1 37 223.34 2 ↓
Mid Mid (pH 6-8) 1.18 4.59 -6.22 1 3 0 32 222.332 2 ↓

Analogs

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Popular Name: 2-[(1S)-cyclopent-2-en-1-yl]-1-[(2R,6R)-2,6-dimethylpiperazin-1-yl]ethanone 2-[(1S)-cyclopent-2-en-1-yl]-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) 1.18 5.96 -46.6 2 3 1 37 223.34 2 ↓
Mid Mid (pH 6-8) 1.18 4.57 -6.25 1 3 0 32 222.332 2 ↓

Analogs

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Popular Name: 4-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]-N,N-diethyl-piperazine-1-sulfonamide 4-[2-[(1S)-cyclopent-2-en-1-yl]a…

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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 5.4 -13.75 0 6 0 61 329.466 6 ↓

Analogs

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Popular Name: 4-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]-N,N-diethyl-piperazine-1-sulfonamide 4-[2-[(1R)-cyclopent-2-en-1-yl]a…

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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 5.4 -13.9 0 6 0 61 329.466 6 ↓

Analogs

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Popular Name: 2-[(1S)-cyclopent-2-en-1-yl]-1-[4-[(2S)-2-hydroxy-3,3-dimethyl-butyl]piperazin-1-yl]ethanone 2-[(1S)-cyclopent-2-en-1-yl]-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) 2.18 4.66 -8.72 1 4 0 44 294.439 5 ↓
Mid Mid (pH 6-8) 2.18 6.94 -45.27 2 4 1 45 295.447 5 ↓

Analogs

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Popular Name: 2-[(1S)-cyclopent-2-en-1-yl]-1-[4-[(2R)-2-hydroxy-3,3-dimethyl-butyl]piperazin-1-yl]ethanone 2-[(1S)-cyclopent-2-en-1-yl]-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) 2.18 4.76 -7.85 1 4 0 44 294.439 5 ↓
Mid Mid (pH 6-8) 2.18 6.98 -43.98 2 4 1 45 295.447 5 ↓

Analogs

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Popular Name: 2-[(1R)-cyclopent-2-en-1-yl]-1-[4-[(2S)-2-hydroxy-3,3-dimethyl-butyl]piperazin-1-yl]ethanone 2-[(1R)-cyclopent-2-en-1-yl]-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) 2.18 4.66 -8.75 1 4 0 44 294.439 5 ↓
Mid Mid (pH 6-8) 2.18 6.94 -45.74 2 4 1 45 295.447 5 ↓

Analogs

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Popular Name: 2-[(1R)-cyclopent-2-en-1-yl]-1-[4-[(2R)-2-hydroxy-3,3-dimethyl-butyl]piperazin-1-yl]ethanone 2-[(1R)-cyclopent-2-en-1-yl]-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) 2.18 4.76 -7.88 1 4 0 44 294.439 5 ↓
Mid Mid (pH 6-8) 2.18 6.98 -44.37 2 4 1 45 295.447 5 ↓

Analogs

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Popular Name: 2-[(1S)-cyclopent-2-en-1-yl]-1-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]ethanone 2-[(1S)-cyclopent-2-en-1-yl]-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) 0.85 2.73 -8.75 1 4 0 44 252.358 4 ↓
Lo Low (pH 4.5-6) 0.85 5 -44.11 2 4 1 45 253.366 4 ↓

Analogs

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Popular Name: 2-[(1S)-cyclopent-2-en-1-yl]-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]ethanone 2-[(1S)-cyclopent-2-en-1-yl]-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) 0.85 2.81 -9.12 1 4 0 44 252.358 4 ↓
Lo Low (pH 4.5-6) 0.85 5.05 -42.96 2 4 1 45 253.366 4 ↓

Analogs

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Popular Name: 2-[(1R)-cyclopent-2-en-1-yl]-1-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]ethanone 2-[(1R)-cyclopent-2-en-1-yl]-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) 0.85 2.73 -8.79 1 4 0 44 252.358 4 ↓
Lo Low (pH 4.5-6) 0.85 5 -44.52 2 4 1 45 253.366 4 ↓

Analogs

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Popular Name: 2-[(1R)-cyclopent-2-en-1-yl]-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]ethanone 2-[(1R)-cyclopent-2-en-1-yl]-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) 0.85 2.81 -9.26 1 4 0 44 252.358 4 ↓
Lo Low (pH 4.5-6) 0.85 5.05 -43.29 2 4 1 45 253.366 4 ↓

Analogs

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Popular Name: 2-[(1S)-cyclopent-2-en-1-yl]-1-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]ethanone 2-[(1S)-cyclopent-2-en-1-yl]-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) 1.35 3.55 -9.03 1 4 0 44 266.385 5 ↓
Lo Low (pH 4.5-6) 1.35 5.82 -44.9 2 4 1 45 267.393 5 ↓

Analogs

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Popular Name: 2-[(1S)-cyclopent-2-en-1-yl]-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethanone 2-[(1S)-cyclopent-2-en-1-yl]-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) 1.35 3.64 -8.31 1 4 0 44 266.385 5 ↓
Lo Low (pH 4.5-6) 1.35 5.88 -43.68 2 4 1 45 267.393 5 ↓

Analogs

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Popular Name: 2-[(1R)-cyclopent-2-en-1-yl]-1-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]ethanone 2-[(1R)-cyclopent-2-en-1-yl]-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) 1.35 3.66 -8.22 1 4 0 44 266.385 5 ↓
Lo Low (pH 4.5-6) 1.35 5.88 -43.67 2 4 1 45 267.393 5 ↓

Analogs

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Popular Name: 2-[(1R)-cyclopent-2-en-1-yl]-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethanone 2-[(1R)-cyclopent-2-en-1-yl]-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) 1.35 3.61 -8.99 1 4 0 44 266.385 5 ↓
Lo Low (pH 4.5-6) 1.35 5.87 -44.9 2 4 1 45 267.393 5 ↓

Analogs

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Popular Name: 2-[(1S)-cyclopent-2-en-1-yl]-1-[4-(2-hydroxy-2-methyl-propyl)piperazin-1-yl]ethanone 2-[(1S)-cyclopent-2-en-1-yl]-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) 1.29 4.36 -7.7 1 4 0 44 266.385 4 ↓
Lo Low (pH 4.5-6) 1.29 6.12 -41.95 2 4 1 45 267.393 4 ↓

Analogs

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Popular Name: 2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(2-hydroxy-2-methyl-propyl)piperazin-1-yl]ethanone 2-[(1R)-cyclopent-2-en-1-yl]-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) 1.29 4.36 -7.64 1 4 0 44 266.385 4 ↓
Lo Low (pH 4.5-6) 1.29 6.12 -42.28 2 4 1 45 267.393 4 ↓

Analogs

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Popular Name: 1-[4-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]piperazin-1-yl]-2-methoxy-ethanone 1-[4-[2-[(1S)-cyclopent-2-en-1-y…

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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) 0.42 6.05 -14.16 0 5 0 50 266.341 4 ↓

Analogs

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Popular Name: 1-[4-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]piperazin-1-yl]-2-methoxy-ethanone 1-[4-[2-[(1R)-cyclopent-2-en-1-y…

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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) 0.42 6.05 -14.12 0 5 0 50 266.341 4 ↓

Parameters Provided:

ring.id = 28466
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 = 28466 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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