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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: 3-[4-(3-fluoro-5H-thieno[3,2-c][1,5]benzodiazepin-4-yl)piperazin-1-yl]-2,2-dimethyl-propanoic 3-[4-(3-fluoro-5H-thieno[3,2-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) 3.75 11.8 -47.1 2 6 0 76 402.495 4 ↓
Hi High (pH 8-9.5) 3.75 10.25 -47.84 1 6 -1 75 401.487 4 ↓
Lo Low (pH 4.5-6) 3.75 11.79 -80.85 3 6 1 77 403.503 4 ↓

Analogs

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Popular Name: 3-[4-(3-chloro-5H-thieno[3,2-c][1,5]benzodiazepin-4-yl)piperazin-1-yl]-2,2-dimethyl-propanoic 3-[4-(3-chloro-5H-thieno[3,2-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) 4.26 12.03 -45.64 2 6 0 76 418.95 4 ↓
Hi High (pH 8-9.5) 4.26 10.47 -47.46 1 6 -1 75 417.942 4 ↓
Lo Low (pH 4.5-6) 4.26 11.96 -79.97 3 6 1 77 419.958 4 ↓

Analogs

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Popular Name: 1-[[4-(3-chloro-5H-thieno[3,2-c][1,5]benzodiazepin-4-yl)piperazin-1-yl]methyl]cyclopropanecarboxylic 1-[[4-(3-chloro-5H-thieno[3,2-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) 3.55 12.2 -53.13 2 6 0 76 416.934 4 ↓
Hi High (pH 8-9.5) 3.55 10.93 -50.49 1 6 -1 75 415.926 4 ↓
Lo Low (pH 4.5-6) 3.55 12.11 -88.77 3 6 1 77 417.942 4 ↓

Analogs

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Popular Name: 2,2-dimethyl-3-[4-(3-methyl-5H-thieno[3,2-c][1,5]benzodiazepin-4-yl)piperazin-1-yl]propanoic 2,2-dimethyl-3-[4-(3-methyl-5H-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) 4.03 12.05 -53.21 2 6 0 76 398.532 4 ↓
Hi High (pH 8-9.5) 4.03 10.24 -53.25 1 6 0 75 397.524 4 ↓
Lo Low (pH 4.5-6) 4.03 11.97 -60.53 3 6 0 77 399.54 4 ↓

Analogs

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Popular Name: 3-[4-(3-methoxy-5H-thieno[3,2-c][1,5]benzodiazepin-4-yl)piperazin-1-yl]-2,2-dimethyl-propanoic 3-[4-(3-methoxy-5H-thieno[3,2-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) 3.64 11.72 -48.7 2 7 0 86 414.531 5 ↓
Hi High (pH 8-9.5) 3.64 10.22 -48.41 1 7 -1 85 413.523 5 ↓
Lo Low (pH 4.5-6) 3.64 11.68 -81.62 3 7 1 86 415.539 5 ↓

Analogs

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Popular Name: 3-[4-(3-hydroxy-5H-thieno[3,2-c][1,5]benzodiazepin-4-yl)piperazin-1-yl]-2,2-dimethyl-propanoic 3-[4-(3-hydroxy-5H-thieno[3,2-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) 3.36 9.66 -48.93 3 7 0 97 400.504 4 ↓
Hi High (pH 8-9.5) 3.36 7.99 -50.29 2 7 -1 96 399.496 4 ↓
Lo Low (pH 4.5-6) 3.36 9.45 -82.71 4 7 1 97 401.512 4 ↓

Analogs

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Popular Name: 2,2-dimethyl-3-[4-(7-methyl-5H-thieno[3,2-c][1,5]benzodiazepin-4-yl)piperazin-1-yl]propanoic 2,2-dimethyl-3-[4-(7-methyl-5H-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) 4.08 12.53 -49.36 2 6 0 76 398.532 4 ↓
Hi High (pH 8-9.5) 4.08 11.05 -49.07 1 6 -1 75 397.524 4 ↓
Lo Low (pH 4.5-6) 4.08 12.33 -82.25 3 6 1 77 399.54 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[4-(3,7-dimethyl-5H-thieno[3,2-c][1,5]benzodiazepin-4-yl)piperazin-1-yl]-2,2-dimethyl-propanoic 3-[4-(3,7-dimethyl-5H-thieno[3,2…

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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) 4.46 12.68 -54.47 2 6 0 76 412.559 4 ↓
Hi High (pH 8-9.5) 4.46 11.29 -42.73 1 6 0 75 411.551 4 ↓
Lo Low (pH 4.5-6) 4.46 12.59 -61.17 3 6 0 77 413.567 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[4-(7-hydroxy-5H-thieno[3,2-c][1,5]benzodiazepin-4-yl)piperazin-1-yl]-2,2-dimethyl-propanoic 3-[4-(7-hydroxy-5H-thieno[3,2-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) 3.15 9.03 -50.28 3 7 0 97 400.504 4 ↓
Hi High (pH 8-9.5) 3.15 7.43 -48.4 2 7 -1 96 399.496 4 ↓
Lo Low (pH 4.5-6) 3.15 8.93 -85.12 4 7 1 97 401.512 4 ↓

Parameters Provided:

ring.id = 197710
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 = 197710 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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