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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: 2-[(1-ethylbenzimidazol-2-yl)sulfanylmethyl]-6-methyl-4-oxo-3H-furo[5,4-d]pyrimidine-5-carboxylic 2-[(1-ethylbenzimidazol-2-yl)sul…

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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) 2.38 8.65 -63.09 1 8 -1 117 383.409 5 ↓
Mid Mid (pH 6-8) 2.84 6.18 -130.79 0 8 -2 120 382.401 5 ↓
Lo Low (pH 4.5-6) 2.38 9.11 -79.49 2 8 0 118 384.417 5 ↓

Analogs

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Popular Name: 6-methyl-2-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]-4-oxo-3H-furo[5,4-d]pyrimidine-5-carboxylic 6-methyl-2-[(1-methylbenzimidazo…

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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) 2.00 7.8 -63.44 1 8 -1 117 369.382 4 ↓
Mid Mid (pH 6-8) 2.46 5.34 -130.58 0 8 -2 120 368.374 4 ↓
Lo Low (pH 4.5-6) 2.00 8.26 -80.33 2 8 0 118 370.39 4 ↓

Analogs

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Popular Name: 2-[(1-hexylbenzimidazol-2-yl)sulfanylmethyl]-6-methyl-4-oxo-3H-furo[5,4-d]pyrimidine-5-carboxylic 2-[(1-hexylbenzimidazol-2-yl)sul…

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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) 4.45 11.73 -62.64 1 8 -1 117 439.517 9 ↓
Mid Mid (pH 6-8) 4.91 9.27 -131.35 0 8 -2 120 438.509 9 ↓
Lo Low (pH 4.5-6) 4.45 12.19 -79.89 2 8 0 118 440.525 9 ↓

Analogs

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Popular Name: 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-6-methyl-4-oxo-3H-furo[5,4-d]pyrimidine-5-carboxy 2-[(6-methoxy-1H-benzimidazol-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) 1.97 5.41 -63.07 2 9 -1 137 385.381 5 ↓

Analogs

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Popular Name: 2-[(1-isobutylbenzimidazol-2-yl)sulfanylmethyl]-6-methyl-4-oxo-3H-furo[5,4-d]pyrimidine-5-carboxylic 2-[(1-isobutylbenzimidazol-2-yl)…

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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) 3.12 9.86 -62.62 1 8 -1 117 411.463 6 ↓
Mid Mid (pH 6-8) 3.58 7.4 -130.88 0 8 -2 120 410.455 6 ↓
Lo Low (pH 4.5-6) 3.12 10.1 -79.21 2 8 0 118 412.471 6 ↓

Analogs

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Popular Name: 2-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-6-methyl-4-oxo-3H-furo[5,4-d]pyrimidine-5-ca 2-[[1-(2-methoxyethyl)benzimidaz…

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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) 1.99 7.76 -62.93 1 9 -1 126 413.435 7 ↓
Mid Mid (pH 6-8) 2.44 5.3 -130.68 0 9 -2 129 412.427 7 ↓
Lo Low (pH 4.5-6) 1.99 8.22 -80.96 2 9 0 127 414.443 7 ↓

Analogs

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Popular Name: 2-[(1-allylbenzimidazol-2-yl)sulfanylmethyl]-6-methyl-4-oxo-3H-furo[5,4-d]pyrimidine-5-carboxylic 2-[(1-allylbenzimidazol-2-yl)sul…

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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) 2.65 9.26 -63.17 1 8 -1 117 395.42 6 ↓
Mid Mid (pH 6-8) 3.10 6.81 -131.45 0 8 -2 120 394.412 6 ↓
Lo Low (pH 4.5-6) 2.65 9.72 -79.63 2 8 0 118 396.428 6 ↓

Analogs

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Popular Name: 6-methyl-2-[(5-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-4-oxo-3H-furo[5,4-d]pyrimidine-5-carboxyl 6-methyl-2-[(5-methyl-1H-benzimi…

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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 6.73 -62.52 2 8 -1 128 369.382 4 ↓

Parameters Provided:

ring.id = 117754
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 = 117754 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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