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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-[(5-fluorobenzothiophen-2-yl)methyl]piperazine 1-[(5-fluorobenzothiophen-2-yl)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) 1.41 5.28 -41.31 2 2 1 20 251.35 2 ↓
Hi High (pH 8-9.5) 1.41 3.93 -3.93 1 2 0 15 250.342 2 ↓

Analogs

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Popular Name: 2-[(2S)-4-[(3-chlorobenzothiophen-2-yl)methyl]-1-methyl-piperazin-2-yl]ethanol 2-[(2S)-4-[(3-chlorobenzothiophe…

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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) 3.07 5.62 -36.57 2 3 1 28 325.885 4 ↓
Mid Mid (pH 6-8) 3.07 5.55 -35.83 2 3 1 28 325.885 4 ↓
Mid Mid (pH 6-8) 3.07 3.31 -5.92 1 3 0 27 324.877 4 ↓

Analogs

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Popular Name: (2S,6R)-1-[(3-chlorobenzothiophen-2-yl)methyl]-2,6-dimethyl-piperazine (2S,6R)-1-[(3-chlorobenzothiophe…

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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) 3.51 6.06 -37.68 2 2 1 20 295.859 2 ↓
Hi High (pH 8-9.5) 3.51 4.7 -4.26 1 2 0 15 294.851 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6S)-1-[(3-chlorobenzothiophen-2-yl)methyl]-2,6-dimethyl-piperazine (2S,6S)-1-[(3-chlorobenzothiophe…

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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) 3.51 6.65 -39.97 2 2 1 20 295.859 2 ↓
Hi High (pH 8-9.5) 3.51 5.49 -3.85 1 2 0 15 294.851 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,6R)-1-[(3-chlorobenzothiophen-2-yl)methyl]-2,6-dimethyl-piperazine (2R,6R)-1-[(3-chlorobenzothiophe…

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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) 3.51 6.33 -39.17 2 2 1 20 295.859 2 ↓
Hi High (pH 8-9.5) 3.51 5.16 -3.88 1 2 0 15 294.851 2 ↓

Parameters Provided:

ring.id = 28976
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 = 28976 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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