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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: N-[(1S,2R)-1-benzyl-3-[[(1S)-1,5-dimethylhexyl]amino]-2-hydroxy-propyl]-3-(1,1-dioxo-1,2-thiazolidin N-[(1S,2R)-1-benzyl-3-[[(1S)-1,5…

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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) 4.59 7.94 -67.76 5 8 1 115 559.797 15 ↓

Analogs

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Popular Name: N-[(1R,2R)-1-benzyl-3-[[(1S)-1,5-dimethylhexyl]amino]-2-hydroxy-propyl]-3-(1,1-dioxo-1,2-thiazolidin N-[(1R,2R)-1-benzyl-3-[[(1S)-1,5…

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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) 4.59 8.43 -69.33 5 8 1 115 559.797 15 ↓

Analogs

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Popular Name: N-[(2S)-2-dimethylamino-2-(2-methoxyphenyl)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide N-[(2S)-2-dimethylamino-2-(2-met…

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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) 2.34 6.54 -55.75 2 7 1 80 418.539 7 ↓
Hi High (pH 8-9.5) 2.34 4.18 -19.49 1 7 0 79 417.531 7 ↓

Analogs

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Popular Name: N-[(2R)-2-dimethylamino-2-(2-methoxyphenyl)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide N-[(2R)-2-dimethylamino-2-(2-met…

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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) 2.34 6.55 -55.26 2 7 1 80 418.539 7 ↓
Hi High (pH 8-9.5) 2.34 4.2 -19.5 1 7 0 79 417.531 7 ↓

Analogs

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Popular Name: N-[(2R)-2-dimethylamino-2-(3-fluorophenyl)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide N-[(2R)-2-dimethylamino-2-(3-flu…

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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) 2.47 7.02 -64.84 2 6 1 71 406.503 6 ↓
Hi High (pH 8-9.5) 2.47 4.67 -21.56 1 6 0 70 405.495 6 ↓

Analogs

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Popular Name: N-[(2S)-2-dimethylamino-2-(3-fluorophenyl)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide N-[(2S)-2-dimethylamino-2-(3-flu…

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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) 2.47 7.33 -65.55 2 6 1 71 406.503 6 ↓
Hi High (pH 8-9.5) 2.47 4.84 -19.56 1 6 0 70 405.495 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-dimethylamino-2-(3-methoxyphenyl)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide N-[(2S)-2-dimethylamino-2-(3-met…

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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) 2.36 6.57 -63.08 2 7 1 80 418.539 7 ↓
Hi High (pH 8-9.5) 2.36 4.08 -20.04 1 7 0 79 417.531 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-dimethylamino-2-(3-methoxyphenyl)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide N-[(2R)-2-dimethylamino-2-(3-met…

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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) 2.36 6.47 -56.29 2 7 1 80 418.539 7 ↓
Hi High (pH 8-9.5) 2.36 4.37 -19.75 1 7 0 79 417.531 7 ↓

Analogs

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Popular Name: N-[(2S)-2-dimethylamino-2-(4-ethylphenyl)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide N-[(2S)-2-dimethylamino-2-(4-eth…

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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) 3.24 8.66 -61.87 2 6 1 71 416.567 7 ↓
Hi High (pH 8-9.5) 3.24 6.17 -18.91 1 6 0 70 415.559 7 ↓

Analogs

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Popular Name: N-[(2R)-2-dimethylamino-2-(4-ethylphenyl)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide N-[(2R)-2-dimethylamino-2-(4-eth…

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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) 3.24 9.03 -58.21 2 6 1 71 416.567 7 ↓
Hi High (pH 8-9.5) 3.24 6.78 -19.97 1 6 0 70 415.559 7 ↓

Analogs

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Popular Name: N-[(2R)-2-diethylamino-2-(3-methoxyphenyl)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide 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) 3.11 7.62 -56.85 2 7 1 80 446.593 9 ↓

Analogs

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Popular Name: N-[(2S)-2-diethylamino-2-(3-methoxyphenyl)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide 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) 3.11 7.8 -55.94 2 7 1 80 446.593 9 ↓

Analogs

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Popular Name: N-[2-(2,4-dimethylphenyl)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide N-[2-(2,4-dimethylphenyl)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) 3.35 7.09 -20.03 1 5 0 66 372.49 5 ↓

Parameters Provided:

ring.id = 8957
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 = 8957 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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