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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[(2S)-2-(4-aminophenyl)-2-hydroxy-ethyl]cyclobutanecarboxamide N-[(2S)-2-(4-aminophenyl)-2-hydr…

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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) 0.35 1.06 -9.05 4 4 0 75 234.299 4 ↓

Analogs

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Popular Name: N-[(2R)-2-(4-aminophenyl)-2-hydroxy-ethyl]cyclobutanecarboxamide N-[(2R)-2-(4-aminophenyl)-2-hydr…

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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) 0.35 1.17 -8.95 4 4 0 75 234.299 4 ↓

Analogs

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Popular Name: N-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]cyclobutanecarboxamide N-[(2S)-2-hydroxy-2-(4-nitrophen…

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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) 1.23 3.91 -13.48 2 6 0 95 264.281 5 ↓

Analogs

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Popular Name: N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]cyclobutanecarboxamide N-[(2R)-2-hydroxy-2-(4-nitrophen…

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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) 1.23 4.01 -13.35 2 6 0 95 264.281 5 ↓

Analogs

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Popular Name: N-[(2R)-2-diethylamino-2-(3-methoxyphenyl)ethyl]cyclobutanecarboxamide N-[(2R)-2-diethylamino-2-(3-meth…

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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) 2.86 8.27 -42.79 2 4 1 43 305.442 8 ↓

Analogs

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Popular Name: N-[(2S)-2-diethylamino-2-(3-methoxyphenyl)ethyl]cyclobutanecarboxamide N-[(2S)-2-diethylamino-2-(3-meth…

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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) 2.86 8.26 -42.2 2 4 1 43 305.442 8 ↓

Analogs

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Popular Name: N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]cyclobutanecarboxamide N-[(2R)-2-(dimethylamino)-2-(4-m…

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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) 2.13 6.77 -43.07 2 4 1 43 277.388 6 ↓
Mid Mid (pH 6-8) 2.13 4.89 -9.42 1 4 0 42 276.38 6 ↓

Analogs

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Popular Name: N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]cyclobutanecarboxamide N-[(2S)-2-(dimethylamino)-2-(4-m…

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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) 2.13 6.78 -43.72 2 4 1 43 277.388 6 ↓
Mid Mid (pH 6-8) 2.13 4.25 -8.68 1 4 0 42 276.38 6 ↓

Analogs

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Popular Name: N-[2-(2-methoxy-5-methyl-phenyl)ethyl]cyclobutanecarboxamide N-[2-(2-methoxy-5-methyl-phenyl)…

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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) 2.70 6.37 -9.83 1 3 0 38 247.338 5 ↓

Analogs

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Popular Name: N-[(2S)-2-amino-2-phenyl-ethyl]cyclobutanecarboxamide N-[(2S)-2-amino-2-phenyl-ethyl]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) -0.42 3.97 -53.59 4 3 1 57 219.308 4 ↓
Mid Mid (pH 6-8) -0.42 3.62 -8.6 3 3 0 55 218.3 4 ↓

Analogs

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Popular Name: N-[(2R)-2-amino-2-phenyl-ethyl]cyclobutanecarboxamide N-[(2R)-2-amino-2-phenyl-ethyl]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) -0.42 3.97 -53.58 4 3 1 57 219.308 4 ↓
Mid Mid (pH 6-8) -0.42 3.53 -7.38 3 3 0 55 218.3 4 ↓

Analogs

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Popular Name: N1'-methyl-N1-[(2R)-3-methyl-2-phenyl-butyl]cyclobutane-1,1-dicarboxamide N1'-methyl-N1-[(2R)-3-methyl-2-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) 3.12 5.99 -6.71 2 4 0 58 302.418 6 ↓

Analogs

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Popular Name: N1'-methyl-N1-[(2S)-3-methyl-2-phenyl-butyl]cyclobutane-1,1-dicarboxamide N1'-methyl-N1-[(2S)-3-methyl-2-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) 3.12 5.94 -6.68 2 4 0 58 302.418 6 ↓

Analogs

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Popular Name: N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]cyclobutanecarboxamide N-[(2S)-2-(dimethylamino)-2-(4-e…

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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) 2.99 8.93 -40.29 2 3 1 34 275.416 6 ↓
Mid Mid (pH 6-8) 2.99 6.32 -6.78 1 3 0 32 274.408 6 ↓

Analogs

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Popular Name: N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]cyclobutanecarboxamide N-[(2R)-2-(dimethylamino)-2-(4-e…

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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) 2.99 8.92 -40.75 2 3 1 34 275.416 6 ↓
Mid Mid (pH 6-8) 2.99 7.18 -7.59 1 3 0 32 274.408 6 ↓

Analogs

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Popular Name: N-[2-(5-bromo-2-fluoro-phenyl)ethyl]cyclobutanecarboxamide N-[2-(5-bromo-2-fluoro-phenyl)et…

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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) 3.17 7.01 -8.81 1 2 0 29 300.171 4 ↓

Analogs

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Popular Name: N-[2-(2,4-dimethylphenyl)ethyl]cyclobutanecarboxamide N-[2-(2,4-dimethylphenyl)ethyl]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) 3.09 7.48 -8.74 1 2 0 29 231.339 4 ↓

Analogs

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Popular Name: N-[(2R)-2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]cyclobutanecarboxamide N-[(2R)-2-(2,6-difluorophenyl)-2…

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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) 2.31 6.06 -9.17 1 3 0 32 282.334 5 ↓
Mid Mid (pH 6-8) 2.31 7.6 -34.51 2 3 1 34 283.342 5 ↓

Analogs

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Popular Name: N-[(2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]cyclobutanecarboxamide N-[(2S)-2-(2,6-difluorophenyl)-2…

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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) 2.31 6.36 -9.52 1 3 0 32 282.334 5 ↓
Mid Mid (pH 6-8) 2.31 7.62 -34.85 2 3 1 34 283.342 5 ↓

Analogs

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Popular Name: N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]cyclobutanecarboxamide N-[(2S)-2-hydroxy-2-[2-(trifluor…

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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) 2.12 3.88 -9.58 2 3 0 49 287.281 5 ↓

Analogs

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Popular Name: N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]cyclobutanecarboxamide N-[(2R)-2-hydroxy-2-[2-(trifluor…

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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) 2.12 3.96 -9.64 2 3 0 49 287.281 5 ↓

Analogs

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Popular Name: N-[(2S)-2-(3-fluorophenyl)-2-hydroxy-ethyl]cyclobutanecarboxamide N-[(2S)-2-(3-fluorophenyl)-2-hyd…

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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) 1.42 3.26 -9.48 2 3 0 49 237.274 4 ↓

Analogs

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Popular Name: N-[(2R)-2-(3-fluorophenyl)-2-hydroxy-ethyl]cyclobutanecarboxamide N-[(2R)-2-(3-fluorophenyl)-2-hyd…

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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) 1.42 3.36 -9.33 2 3 0 49 237.274 4 ↓

Analogs

31830227
31830227

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Popular Name: N-[2-(2,5-dimethoxyphenyl)ethyl]cyclobutanecarboxamide N-[2-(2,5-dimethoxyphenyl)ethyl]…

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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) 2.31 4.98 -10.94 1 4 0 48 263.337 6 ↓

Analogs

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Popular Name: N-[(2S)-2-(dimethylamino)-2-(p-tolyl)ethyl]cyclobutanecarboxamide N-[(2S)-2-(dimethylamino)-2-(p-t…

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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) 2.52 8.16 -40.25 2 3 1 34 261.389 5 ↓
Hi High (pH 8-9.5) 2.52 5.91 -6.58 1 3 0 32 260.381 5 ↓

Analogs

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Popular Name: N-[(2R)-2-(dimethylamino)-2-(p-tolyl)ethyl]cyclobutanecarboxamide N-[(2R)-2-(dimethylamino)-2-(p-t…

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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) 2.52 8.16 -40.7 2 3 1 34 261.389 5 ↓
Hi High (pH 8-9.5) 2.52 6.13 -7.66 1 3 0 32 260.381 5 ↓

Analogs

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Popular Name: N-[(2R)-2-(dimethylamino)-2-phenyl-ethyl]cyclobutanecarboxamide N-[(2R)-2-(dimethylamino)-2-phen…

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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 7.47 -39.98 2 3 1 34 247.362 5 ↓
Hi High (pH 8-9.5) 2.07 5.58 -7.78 1 3 0 32 246.354 5 ↓

Analogs

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Popular Name: N-[(2S)-2-(dimethylamino)-2-phenyl-ethyl]cyclobutanecarboxamide N-[(2S)-2-(dimethylamino)-2-phen…

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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 7.48 -40.67 2 3 1 34 247.362 5 ↓
Hi High (pH 8-9.5) 2.07 4.95 -7 1 3 0 32 246.354 5 ↓

Parameters Provided:

ring.id = 15714
filter.purchasability = annotated
page.format = targets
page.num = 1

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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 = 15714 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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