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

Analogs

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Popular Name: 2-methyl-6-propoxy-3-propyl-1H-quinoline-4-thione 2-methyl-6-propoxy-3-propyl-1H-q…

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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) 4.42 9.43 -40.9 1 2 0 25 275.417 5 ↓

Analogs

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Popular Name: 6-propyl-4-sulfanyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyridin-2-one 6-propyl-4-sulfanyl-1-[[4-[2-(2H…

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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) 4.79 11.64 -105.81 0 6 -2 81 401.495 6 ↓
Mid Mid (pH 6-8) 4.79 11.2 -59.87 0 6 -1 81 402.503 6 ↓

Analogs

1553290
1553290
1553289
1553289

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Popular Name: N-[(4-chlorophenyl)methyl]-(morpholinomethyl)-thioxo-BLAHcarboxamide N-[(4-chlorophenyl)methyl]-(morp…

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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) 2.80 8.09 -35.83 1 6 0 56 469.994 5 ↓

Analogs

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Popular Name: (3R)-2-ethanethioyl-7-methoxy-3-methyl-3,4-dihydro-1H-pyrrolo[3,4-b]quinoline-9-thione (3R)-2-ethanethioyl-7-methoxy-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) 2.14 7.61 -23.72 1 3 0 28 304.44 2 ↓

Analogs

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Popular Name: (3S)-2-ethanethioyl-7-methoxy-3-methyl-3,4-dihydro-1H-pyrrolo[3,4-b]quinoline-9-thione (3S)-2-ethanethioyl-7-methoxy-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) 2.14 7.61 -23.72 1 3 0 28 304.44 2 ↓

Analogs

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Popular Name: 6-isopropyl-1,3-dimethyl-5-sulfanyl-pyrido[3,2-e]pyrimidine-2,4-dione 6-isopropyl-1,3-dimethyl-5-sulfa…

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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) 0.94 6.5 -44.86 0 5 -1 63 264.33 1 ↓
Mid Mid (pH 6-8) 0.48 6.9 -48.1 1 5 0 60 265.338 1 ↓

Analogs

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Popular Name: 6-butyl-1,3-dimethyl-5-sulfanyl-pyrido[3,2-e]pyrimidine-2,4-dione 6-butyl-1,3-dimethyl-5-sulfanyl-…

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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) 1.76 7.6 -44.53 0 5 -1 63 278.357 3 ↓
Mid Mid (pH 6-8) 1.30 8 -48.89 1 5 0 60 279.365 3 ↓

Analogs

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Popular Name: 6-isobutyl-1,3-dimethyl-5-sulfanyl-pyrido[3,2-e]pyrimidine-2,4-dione 6-isobutyl-1,3-dimethyl-5-sulfan…

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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) 1.20 7.25 -44.77 0 5 -1 63 278.357 2 ↓
Mid Mid (pH 6-8) 0.74 7.65 -48.4 1 5 0 60 279.365 2 ↓

Analogs

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Popular Name: 4-sulfanylquinoline-3-carboxylic 4-sulfanylquinoline-3-carboxylic

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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) 1.39 6.23 -74.55 1 3 -1 56 204.23 1 ↓
Hi High (pH 8-9.5) 1.96 5.84 -125.57 0 3 -2 53 203.222 1 ↓

Parameters Provided:

ring.id = 2925
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 = 2925 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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