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

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Popular Name: 2-(3-imidazol-1-ylpropylamino)-3-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one 2-(3-imidazol-1-ylpropylamino)-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) 2.12 12.34 -47.16 2 6 1 66 344.464 5 ↓
Mid Mid (pH 6-8) 2.12 11.83 -17.41 1 6 0 65 343.456 5 ↓

Analogs

41531621
41531621

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Popular Name: 3-ethyl-2-(3-imidazol-1-ylpropylamino)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one 3-ethyl-2-(3-imidazol-1-ylpropyl…

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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) 2.49 13.27 -47.47 2 6 1 66 358.491 6 ↓
Mid Mid (pH 6-8) 2.49 12.76 -17.3 1 6 0 65 357.483 6 ↓

Analogs

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Popular Name: 2-(3-imidazol-1-ylpropylamino)-3-isopropyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one 2-(3-imidazol-1-ylpropylamino)-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) 2.86 13.85 -46.44 2 6 1 66 372.518 6 ↓
Mid Mid (pH 6-8) 2.86 13.34 -16.31 1 6 0 65 371.51 6 ↓

Analogs

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Popular Name: 3-allyl-2-(3-imidazol-1-ylpropylamino)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one 3-allyl-2-(3-imidazol-1-ylpropyl…

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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) 2.76 13.82 -46.34 2 6 1 66 370.502 7 ↓
Mid Mid (pH 6-8) 2.76 13.31 -16.51 1 6 0 65 369.494 7 ↓

Analogs

41531406
41531406

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Popular Name: 2-(3-imidazol-1-ylpropylamino)-3-propyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one 2-(3-imidazol-1-ylpropylamino)-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) 3.00 14.03 -47.54 2 6 1 66 372.518 7 ↓
Mid Mid (pH 6-8) 3.00 13.52 -17.01 1 6 0 65 371.51 7 ↓

Parameters Provided:

ring.id = 544770
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 = 544770 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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