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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2R)-1-[(4S)-4-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]thiazolidin-3-yl]-2-methyl-butan-1-one (2R)-1-[(4S)-4-[4-(2,2-difluoroe…

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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) 1.46 5.47 -16.03 0 5 0 44 349.447 5 ↓

Analogs

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Popular Name: (2S)-1-[(4S)-4-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]thiazolidin-3-yl]-2-methyl-butan-1-one (2S)-1-[(4S)-4-[4-(2,2-difluoroe…

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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) 1.46 5.67 -14.81 0 5 0 44 349.447 5 ↓

Analogs

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Popular Name: (2R)-1-[(4R)-4-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]thiazolidin-3-yl]-2-methyl-butan-1-one (2R)-1-[(4R)-4-[4-(2,2-difluoroe…

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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) 1.46 6.51 -16.81 0 5 0 44 349.447 5 ↓

Analogs

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Popular Name: (2S)-1-[(4R)-4-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]thiazolidin-3-yl]-2-methyl-butan-1-one (2S)-1-[(4R)-4-[4-(2,2-difluoroe…

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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) 1.46 6.34 -16.85 0 5 0 44 349.447 5 ↓

Analogs

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Popular Name: 2-methyl-1-[4-[(4S)-3-propanoylthiazolidine-4-carbonyl]piperazin-1-yl]propan-1-one 2-methyl-1-[4-[(4S)-3-propanoylt…

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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) 0.59 6.08 -19.84 0 6 0 61 327.45 3 ↓

Analogs

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Popular Name: 2-methyl-1-[4-[(4R)-3-propanoylthiazolidine-4-carbonyl]piperazin-1-yl]propan-1-one 2-methyl-1-[4-[(4R)-3-propanoylt…

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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) 0.59 5.92 -17.73 0 6 0 61 327.45 3 ↓

Analogs

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Popular Name: [4-[(1R)-1-methylpropyl]piperazin-1-yl]-[(4R)-thiazolidin-4-yl]methanone [4-[(1R)-1-methylpropyl]piperazi…

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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) 0.91 4.12 -44.44 2 4 1 37 258.411 3 ↓
Mid Mid (pH 6-8) 0.91 2.26 -8.63 1 4 0 36 257.403 3 ↓
Lo Low (pH 4.5-6) 0.91 5.24 -97.91 3 4 2 41 259.419 3 ↓

Analogs

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Popular Name: [4-[(1S)-1-methylpropyl]piperazin-1-yl]-[(4R)-thiazolidin-4-yl]methanone [4-[(1S)-1-methylpropyl]piperazi…

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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) 0.91 4.12 -44.98 2 4 1 37 258.411 3 ↓
Mid Mid (pH 6-8) 0.91 2.28 -8.66 1 4 0 36 257.403 3 ↓
Lo Low (pH 4.5-6) 0.91 5.26 -97.68 3 4 2 41 259.419 3 ↓

Analogs

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Popular Name: [4-[(1R)-1-methylpropyl]piperazin-1-yl]-[(4S)-thiazolidin-4-yl]methanone [4-[(1R)-1-methylpropyl]piperazi…

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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) 0.91 3.96 -41.92 2 4 1 37 258.411 3 ↓
Mid Mid (pH 6-8) 0.91 2.09 -5.71 1 4 0 36 257.403 3 ↓
Lo Low (pH 4.5-6) 0.91 5.22 -96.49 3 4 2 41 259.419 3 ↓

Analogs

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Popular Name: [4-[(1S)-1-methylpropyl]piperazin-1-yl]-[(4S)-thiazolidin-4-yl]methanone [4-[(1S)-1-methylpropyl]piperazi…

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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) 0.91 3.96 -42.3 2 4 1 37 258.411 3 ↓
Mid Mid (pH 6-8) 0.91 2.11 -5.82 1 4 0 36 257.403 3 ↓
Lo Low (pH 4.5-6) 0.91 5.23 -97.31 3 4 2 41 259.419 3 ↓

Analogs

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Popular Name: 1-[(4S)-4-[4-[(2R)-2-hydroxy-3,3-dimethyl-butyl]piperazine-1-carbonyl]thiazolidin-3-yl]ethanone 1-[(4S)-4-[4-[(2R)-2-hydroxy-3,3…

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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) 0.36 2.62 -14.07 1 6 0 64 343.493 4 ↓
Lo Low (pH 4.5-6) 0.36 4.84 -47.87 2 6 1 65 344.501 4 ↓

Analogs

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Popular Name: 1-[(4R)-4-[4-[(2R)-2-hydroxy-3,3-dimethyl-butyl]piperazine-1-carbonyl]thiazolidin-3-yl]ethanone 1-[(4R)-4-[4-[(2R)-2-hydroxy-3,3…

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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) 0.36 3.61 -17.59 1 6 0 64 343.493 4 ↓
Lo Low (pH 4.5-6) 0.36 5.84 -53.44 2 6 1 65 344.501 4 ↓

Analogs

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Popular Name: 1-[(4S)-4-[4-[(2S)-2-hydroxy-3,3-dimethyl-butyl]piperazine-1-carbonyl]thiazolidin-3-yl]ethanone 1-[(4S)-4-[4-[(2S)-2-hydroxy-3,3…

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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) 0.36 2.57 -15.01 1 6 0 64 343.493 4 ↓
Lo Low (pH 4.5-6) 0.36 4.84 -49.1 2 6 1 65 344.501 4 ↓

Analogs

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Popular Name: 1-[(4R)-4-[4-[(2S)-2-hydroxy-3,3-dimethyl-butyl]piperazine-1-carbonyl]thiazolidin-3-yl]ethanone 1-[(4R)-4-[4-[(2S)-2-hydroxy-3,3…

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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) 0.36 3.66 -16.41 1 6 0 64 343.493 4 ↓
Lo Low (pH 4.5-6) 0.36 5.88 -51.55 2 6 1 65 344.501 4 ↓

Analogs

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Popular Name: 2-[4-[(4S)-3-(2,2-dimethylpropanoyl)thiazolidine-4-carbonyl]piperazin-1-yl]acetamide 2-[4-[(4S)-3-(2,2-dimethylpropan…

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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) -0.30 1.31 -17.17 2 7 0 87 342.465 4 ↓

Analogs

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Popular Name: 2-[4-[(4R)-3-(2,2-dimethylpropanoyl)thiazolidine-4-carbonyl]piperazin-1-yl]acetamide 2-[4-[(4R)-3-(2,2-dimethylpropan…

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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) -0.30 1.45 -18.91 2 7 0 87 342.465 4 ↓

Analogs

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Popular Name: 2,2-dimethyl-1-[(4R)-4-(4-propanoylpiperazine-1-carbonyl)thiazolidin-3-yl]propan-1-one 2,2-dimethyl-1-[(4R)-4-(4-propan…

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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) 1.17 6.7 -16.85 0 6 0 61 341.477 3 ↓

Analogs

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Popular Name: 2,2-dimethyl-1-[(4S)-4-(4-propanoylpiperazine-1-carbonyl)thiazolidin-3-yl]propan-1-one 2,2-dimethyl-1-[(4S)-4-(4-propan…

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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) 1.17 6.97 -18.6 0 6 0 61 341.477 3 ↓

Analogs

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Popular Name: 3,3-dimethyl-1-[(4S)-4-(4-methylpiperazine-1-carbonyl)thiazolidin-3-yl]butan-1-one 3,3-dimethyl-1-[(4S)-4-(4-methyl…

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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) 1.24 5.06 -12.18 0 5 0 44 313.467 3 ↓
Mid Mid (pH 6-8) 1.24 7.4 -45.98 1 5 1 45 314.475 3 ↓

Analogs

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Popular Name: 3,3-dimethyl-1-[(4R)-4-(4-methylpiperazine-1-carbonyl)thiazolidin-3-yl]butan-1-one 3,3-dimethyl-1-[(4R)-4-(4-methyl…

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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) 1.24 4.91 -13.87 0 5 0 44 313.467 3 ↓
Mid Mid (pH 6-8) 1.24 7.26 -47.24 1 5 1 45 314.475 3 ↓

Parameters Provided:

ring.id = 306803
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 = 306803 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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