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

Analogs

23362213
23362213
23362215
23362215
12452024
12452024
12452026
12452026
12039472
12039472

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Popular Name: (7R)-7-(4-ethylpiperazin-1-yl)-3-[2-(2-methoxyphenyl)ethyl]-5,6,7,8-tetrahydrobenzothiopheno[3,2-e]p (7R)-7-(4-ethylpiperazin-1-yl)-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) 3.81 12.04 -45.89 1 6 1 52 453.632 6 ↓
Hi High (pH 8-9.5) 3.81 9.76 -14.39 0 6 0 51 452.624 6 ↓
Mid Mid (pH 6-8) 3.81 11.97 -46.9 1 6 1 52 453.632 6 ↓

Analogs

23362213
23362213
23362215
23362215
12452024
12452024
12452026
12452026
12039472
12039472

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-7-(4-ethylpiperazin-1-yl)-3-[2-(2-methoxyphenyl)ethyl]-5,6,7,8-tetrahydrobenzothiopheno[3,2-e]p (7S)-7-(4-ethylpiperazin-1-yl)-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) 3.81 11.84 -46.62 1 6 1 52 453.632 6 ↓
Hi High (pH 8-9.5) 3.81 9.58 -13.88 0 6 0 51 452.624 6 ↓
Mid Mid (pH 6-8) 3.81 11.97 -46.92 1 6 1 52 453.632 6 ↓

Analogs

23361999
23361999

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-3-[2-(2-chlorophenyl)ethyl]-7-[4-(2-methoxyethyl)piperazin-1-yl]-5,6,7,8-tetrahydrobenzothiophe (7R)-3-[2-(2-chlorophenyl)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) 4.04 12.15 -47.22 1 6 1 52 488.077 7 ↓
Hi High (pH 8-9.5) 4.04 9.81 -14.57 0 6 0 51 487.069 7 ↓
Mid Mid (pH 6-8) 4.04 12.12 -45.28 1 6 1 52 488.077 7 ↓

Analogs

23361998
23361998

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-3-[2-(2-chlorophenyl)ethyl]-7-[4-(2-methoxyethyl)piperazin-1-yl]-5,6,7,8-tetrahydrobenzothiophe (7S)-3-[2-(2-chlorophenyl)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) 4.04 12.16 -47.09 1 6 1 52 488.077 7 ↓
Hi High (pH 8-9.5) 4.04 9.82 -15.32 0 6 0 51 487.069 7 ↓
Mid Mid (pH 6-8) 4.04 12.08 -44.49 1 6 1 52 488.077 7 ↓

Analogs

23362200
23362200
19228520
19228520
19228521
19228521

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-3-[2-(2-chlorophenyl)ethyl]-7-(4-ethylpiperazin-1-yl)-5,6,7,8-tetrahydrobenzothiopheno[3,2-e]py (7R)-3-[2-(2-chlorophenyl)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) 4.43 13.09 -44.82 1 5 1 43 458.051 5 ↓
Hi High (pH 8-9.5) 4.43 10.81 -13.72 0 5 0 41 457.043 5 ↓
Mid Mid (pH 6-8) 4.43 13.02 -45.71 1 5 1 43 458.051 5 ↓

Analogs

23362198
23362198
19228520
19228520

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-3-[2-(2-chlorophenyl)ethyl]-7-(4-ethylpiperazin-1-yl)-5,6,7,8-tetrahydrobenzothiopheno[3,2-e]py (7S)-3-[2-(2-chlorophenyl)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) 4.43 12.89 -45.61 1 5 1 43 458.051 5 ↓
Hi High (pH 8-9.5) 4.43 10.63 -13.28 0 5 0 41 457.043 5 ↓
Mid Mid (pH 6-8) 4.43 13.02 -45.71 1 5 1 43 458.051 5 ↓

Analogs

23362215
23362215
23360740
23360740
23360745
23360745

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-7-(4-isopropylpiperazin-1-yl)-3-[2-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydrobenzothiopheno[3,2 (7S)-7-(4-isopropylpiperazin-1-y…

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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) 4.16 12.29 -44.75 1 6 1 52 467.659 6 ↓
Hi High (pH 8-9.5) 4.16 10.09 -13.15 0 6 0 51 466.651 6 ↓

Analogs

23360740
23360740
23360745
23360745
23362213
23362213

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-7-(4-isopropylpiperazin-1-yl)-3-[2-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydrobenzothiopheno[3,2 (7R)-7-(4-isopropylpiperazin-1-y…

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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) 4.16 12.49 -44.11 1 6 1 52 467.659 6 ↓
Hi High (pH 8-9.5) 4.16 10.27 -13.59 0 6 0 51 466.651 6 ↓

Analogs

23362491
23362491
23374482
23374482
23374485
23374485

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-3-[2-(4-fluorophenyl)ethyl]-7-(4-propylpiperazin-1-yl)-5,6,7,8-tetrahydrobenzothiopheno[3,2-e]p (7R)-3-[2-(4-fluorophenyl)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) 4.47 13.34 -47 1 5 1 43 455.623 6 ↓
Hi High (pH 8-9.5) 4.47 11.08 -13.05 0 5 0 41 454.615 6 ↓
Mid Mid (pH 6-8) 4.47 13.43 -47.27 1 5 1 43 455.623 6 ↓

Analogs

23374482
23374482
23374485
23374485
23362489
23362489

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-3-[2-(4-fluorophenyl)ethyl]-7-(4-propylpiperazin-1-yl)-5,6,7,8-tetrahydrobenzothiopheno[3,2-e]p (7S)-3-[2-(4-fluorophenyl)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) 4.47 13.29 -46.91 1 5 1 43 455.623 6 ↓
Hi High (pH 8-9.5) 4.47 11.04 -13.01 0 5 0 41 454.615 6 ↓
Mid Mid (pH 6-8) 4.47 13.43 -47.28 1 5 1 43 455.623 6 ↓

Analogs

23362855
23362855
23362858
23362858

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-7-(4-ethylpiperazin-1-yl)-3-phenethyl-5,6,7,8-tetrahydrobenzothiopheno[3,2-e]pyrimidin-4-one (7R)-7-(4-ethylpiperazin-1-yl)-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) 3.81 12.68 -43.93 1 5 1 43 423.606 5 ↓
Mid Mid (pH 6-8) 3.81 12.61 -45.25 1 5 1 43 423.606 5 ↓

Analogs

23362855
23362855
23362858
23362858

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-7-(4-ethylpiperazin-1-yl)-3-phenethyl-5,6,7,8-tetrahydrobenzothiopheno[3,2-e]pyrimidin-4-one (7S)-7-(4-ethylpiperazin-1-yl)-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) 3.81 12.48 -44.74 1 5 1 43 423.606 5 ↓
Mid Mid (pH 6-8) 3.81 12.61 -45.25 1 5 1 43 423.606 5 ↓

Parameters Provided:

ring.id = 139268
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 = 139268 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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