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

Analogs

12538604
12538604

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Popular Name: N-[[5-[(2R)-2-(4H-[1,2,4]triazolo[5,4-b]benzimidazol-1-ylsulfanyl)propanoyl]-2-thienyl]methyl]acetam N-[[5-[(2R)-2-(4H-[1,2,4]triazol…

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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) 2.75 11.04 -17.83 2 7 0 92 399.501 6 ↓

Analogs

12538602
12538602

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Popular Name: N-[[5-[(2S)-2-(4H-[1,2,4]triazolo[5,4-b]benzimidazol-1-ylsulfanyl)propanoyl]-2-thienyl]methyl]acetam N-[[5-[(2S)-2-(4H-[1,2,4]triazol…

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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) 2.75 11.04 -17.63 2 7 0 92 399.501 6 ↓

Analogs

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Popular Name: 3-methyl-6-oxo-4-(4H-[1,2,4]triazolo[5,4-b]benzimidazol-1-ylsulfanylmethyl)-7H-thieno[5,4-b]pyridine 3-methyl-6-oxo-4-(4H-[1,2,4]tria…

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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) 3.62 11.1 -53.58 2 8 -1 119 410.46 4 ↓

Analogs

1364829
1364829

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Popular Name: 2-(benzylBLAHyl)sulfanyl-N-cyclohexyl-acetamide 2-(benzylBLAHyl)sulfanyl-N-cyclo…

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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) 4.85 0.05 -16.94 1 6 0 64 419.554 6 ↓

Analogs

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Popular Name: N-cyclopropyl-2-[(2-fluorophenyl)methylBLAHyl]sulfanyl-acetamide N-cyclopropyl-2-[(2-fluorophenyl…

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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) 3.43 0.38 -14.67 1 6 0 64 395.463 6 ↓

Analogs

13084054
13084054
39311478
39311478
39311532
39311532
39311533
39311533

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Popular Name: 2-[(2-fluorophenyl)methylBLAHyl]sulfanylacetic 2-[(2-fluorophenyl)methylBLAHyl]…

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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) 3.20 2.2 -51.99 0 6 -1 75 355.374 5 ↓

Analogs

4891022
4891022
13084045
13084045
13084046
13084046
35314647
35314647
35315092
35315092

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Popular Name: 2-[(2-fluorophenyl)methylBLAHyl]sulfanyl-N,N-dimethyl-acetamide 2-[(2-fluorophenyl)methylBLAHyl]…

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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) 2.87 2.34 -15.18 0 6 0 55 383.452 5 ↓

Analogs

39311540
39311540

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Popular Name: 2-[(4-fluorophenyl)methylBLAHyl]sulfanylacetamide 2-[(4-fluorophenyl)methylBLAHyl]…

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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) 2.74 -0.11 -18.68 2 6 0 78 355.398 5 ↓

Analogs

4891011
4891011

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Popular Name: N,N-diethyl-2-[(4-fluorophenyl)methylBLAHyl]sulfanyl-acetamide N,N-diethyl-2-[(4-fluorophenyl)m…

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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) 4.11 3.24 -17.79 0 6 0 55 411.506 7 ↓

Analogs

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Popular Name: 2-[(4-fluorophenyl)methylBLAHyl]sulfanyl-1-pyrrolidin-1-yl-ethanone 2-[(4-fluorophenyl)methylBLAHyl]…

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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) 3.76 15.49 -18.19 0 6 0 55 409.49 5 ↓

Analogs

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Popular Name: N-cyclopropyl-2-[(4-fluorophenyl)methylBLAHyl]sulfanyl-acetamide N-cyclopropyl-2-[(4-fluorophenyl…

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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) 3.48 0.61 -17.86 1 6 0 64 395.463 6 ↓

Analogs

4891047
4891047
4891054
4891054
39311478
39311478
39311532
39311532
39311533
39311533

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Popular Name: methyl methyl

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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) 3.87 3.93 -16.07 0 6 0 61 370.409 6 ↓

Analogs

39311478
39311478
39311532
39311532
39311533
39311533
4891042
4891042

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Popular Name: ethyl 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) 4.24 3.9 -15.79 0 6 0 61 384.436 7 ↓

Analogs

39311478
39311478
39311532
39311532
39311533
39311533
4891042
4891042

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-fluorophenyl)methylBLAHyl]sulfanylacetic 2-[(4-fluorophenyl)methylBLAHyl]…

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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) 3.25 2.42 -56.56 0 6 -1 75 355.374 5 ↓

Analogs

1364829
1364829

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Popular Name: N-cyclopentyl-2-(p-tolylmethylBLAHyl)sulfanyl-acetamide N-cyclopentyl-2-(p-tolylmethylBL…

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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 15.83 -16.83 1 6 0 64 419.554 6 ↓

Analogs

39311478
39311478
39311532
39311532
39311533
39311533
1364916
1364916

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Popular Name: ethyl 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) 4.53 3.49 -14.92 0 6 0 61 380.473 7 ↓

Analogs

39311478
39311478
39311532
39311532
39311533
39311533

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Popular Name: 2-[(4-chlorophenyl)methylBLAHyl]sulfanylacetic 2-[(4-chlorophenyl)methylBLAHyl]…

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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) 3.76 1.54 -55.91 0 6 -1 75 371.829 5 ↓

Analogs

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Popular Name: 1-methyl-4H-[1,2,4]triazolo[4,3-a]benzimidazole 1-methyl-4H-[1,2,4]triazolo[4,3-…

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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) 1.35 8.07 -12.06 1 4 0 46 172.191 0 ↓

Parameters Provided:

ring.id = 7103
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 = 7103 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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