UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: cyclobutyl-[(2S,6R)-2,6-dimethylpiperazin-1-yl]methanone cyclobutyl-[(2S,6R)-2,6-dimethyl…

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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) 0.66 3.94 -48.31 2 3 1 37 197.302 1 ↓
Mid Mid (pH 6-8) 0.66 2.61 -6.81 1 3 0 32 196.294 1 ↓

Analogs

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Popular Name: cyclobutyl-[(2S,6S)-2,6-dimethylpiperazin-1-yl]methanone cyclobutyl-[(2S,6S)-2,6-dimethyl…

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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) 0.66 4.61 -47.81 2 3 1 37 197.302 1 ↓
Mid Mid (pH 6-8) 0.66 3.28 -6.22 1 3 0 32 196.294 1 ↓

Analogs

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Popular Name: cyclobutyl-[(2R,6R)-2,6-dimethylpiperazin-1-yl]methanone cyclobutyl-[(2R,6R)-2,6-dimethyl…

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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) 0.66 4.62 -47.34 2 3 1 37 197.302 1 ↓
Mid Mid (pH 6-8) 0.66 3.28 -6.19 1 3 0 32 196.294 1 ↓

Analogs

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Popular Name: 1-[4-[(1R)-1-methylpropyl]piperazine-1-carbonyl]cyclobutanecarboxylic 1-[4-[(1R)-1-methylpropyl]pipera…

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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) 0.75 7.41 -53.55 1 5 0 65 268.357 4 ↓
Mid Mid (pH 6-8) 0.75 5.55 -44.69 0 5 -1 64 267.349 4 ↓

Analogs

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Popular Name: 1-[4-[(1S)-1-methylpropyl]piperazine-1-carbonyl]cyclobutanecarboxylic 1-[4-[(1S)-1-methylpropyl]pipera…

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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) 0.75 7.39 -56.57 1 5 0 65 268.357 4 ↓
Mid Mid (pH 6-8) 0.75 5.55 -48.6 0 5 -1 64 267.349 4 ↓

Analogs

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Popular Name: 1-(4-isobutylpiperazine-1-carbonyl)cyclobutanecarboxylic 1-(4-isobutylpiperazine-1-carbon…

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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) 0.67 7.8 -51.93 1 5 0 65 268.357 4 ↓
Mid Mid (pH 6-8) 0.67 5.88 -42.81 0 5 -1 64 267.349 4 ↓

Analogs

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Popular Name: cyclobutyl-[4-[(2R)-3-ethoxy-2-hydroxy-propyl]piperazin-1-yl]methanone cyclobutyl-[4-[(2R)-3-ethoxy-2-h…

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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) 0.31 1.68 -11.4 1 5 0 53 270.373 6 ↓
Lo Low (pH 4.5-6) 0.31 3.95 -48.31 2 5 1 54 271.381 6 ↓

Analogs

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Popular Name: cyclobutyl-[4-[(2S)-3-ethoxy-2-hydroxy-propyl]piperazin-1-yl]methanone cyclobutyl-[4-[(2S)-3-ethoxy-2-h…

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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) 0.31 1.75 -10.12 1 5 0 53 270.373 6 ↓
Lo Low (pH 4.5-6) 0.31 4 -46.54 2 5 1 54 271.381 6 ↓

Analogs

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Popular Name: 1-[4-[(2S)-2-hydroxy-3,3-dimethyl-butyl]piperazine-1-carbonyl]-N-methyl-cyclobutanecarboxamide 1-[4-[(2S)-2-hydroxy-3,3-dimethy…

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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) 0.79 1.18 -7.05 2 6 0 73 325.453 5 ↓
Lo Low (pH 4.5-6) 0.79 3.35 -43.19 3 6 1 74 326.461 5 ↓

Analogs

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Popular Name: 1-[4-[(2R)-2-hydroxy-3,3-dimethyl-butyl]piperazine-1-carbonyl]-N-methyl-cyclobutanecarboxamide 1-[4-[(2R)-2-hydroxy-3,3-dimethy…

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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) 0.79 1.14 -6.96 2 6 0 73 325.453 5 ↓
Lo Low (pH 4.5-6) 0.79 3.38 -43.05 3 6 1 74 326.461 5 ↓

Analogs

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Popular Name: 1-[4-(2-hydroxy-2-methyl-propyl)piperazine-1-carbonyl]-N-methyl-cyclobutanecarboxamide 1-[4-(2-hydroxy-2-methyl-propyl)…

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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) -0.09 0.89 -7.2 2 6 0 73 297.399 4 ↓
Lo Low (pH 4.5-6) -0.09 2.55 -40.34 3 6 1 74 298.407 4 ↓

Analogs

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Popular Name: 1-[4-[(2S)-2-hydroxypropyl]piperazine-1-carbonyl]-N-methyl-cyclobutanecarboxamide 1-[4-[(2S)-2-hydroxypropyl]piper…

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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) -0.53 -0.76 -7.53 2 6 0 73 283.372 4 ↓
Lo Low (pH 4.5-6) -0.53 1.44 -42.14 3 6 1 74 284.38 4 ↓

Analogs

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Popular Name: 1-[4-[(2R)-2-hydroxypropyl]piperazine-1-carbonyl]-N-methyl-cyclobutanecarboxamide 1-[4-[(2R)-2-hydroxypropyl]piper…

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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) -0.53 -0.79 -7.64 2 6 0 73 283.372 4 ↓
Lo Low (pH 4.5-6) -0.53 1.46 -42.02 3 6 1 74 284.38 4 ↓

Analogs

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Popular Name: 1-[4-[(2S)-2-hydroxybutyl]piperazine-1-carbonyl]-N-methyl-cyclobutanecarboxamide 1-[4-[(2S)-2-hydroxybutyl]pipera…

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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) -0.03 -0.01 -7.25 2 6 0 73 297.399 5 ↓
Lo Low (pH 4.5-6) -0.03 2.26 -42.07 3 6 1 74 298.407 5 ↓

Analogs

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Popular Name: 1-[4-[(2R)-2-hydroxybutyl]piperazine-1-carbonyl]-N-methyl-cyclobutanecarboxamide 1-[4-[(2R)-2-hydroxybutyl]pipera…

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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) -0.03 0.03 -7.33 2 6 0 73 297.399 5 ↓
Lo Low (pH 4.5-6) -0.03 2.29 -42.81 3 6 1 74 298.407 5 ↓

Analogs

37814577
37814577
37814578
37814578
37814585
37814585
37814586
37814586
37831960
37831960

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Popular Name: 1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-methoxy-ethanone 1-[4-(cyclobutanecarbonyl)pipera…

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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) -0.10 4.72 -13.92 0 5 0 50 240.303 3 ↓

Parameters Provided:

ring.id = 255012
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 = 255012 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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