UCSF
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Analogs

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Popular Name: 2-[(3-methyl-8-phenyl-9-thia-2,4-diazabicyclo[4.3.0]nona-1,3,5,7-tetraen-5-yl)sulfanyl]-N-(4-methyls 2-[(3-methyl-8-phenyl-9-thia-2,4…

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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) 3.70 -5.7 -20.86 1 6 0 89 469.613 6 ↓

Analogs

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Popular Name: N-(5-chloro-2,4-dimethoxy-phenyl)-2-[(8-phenyl-7-thia-3,5-diazabicyclo[4.3.0]nona-2,4,8,10-tetraen-2 N-(5-chloro-2,4-dimethoxy-phenyl…

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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) 5.39 -1.82 -13.78 1 6 0 73 471.991 7 ↓

Analogs

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Popular Name: N-(4-methylsulfonylphenyl)-2-[(8-phenyl-7-thia-3,5-diazabicyclo[4.3.0]nona-2,4,8,10-tetraen-2-yl)sul N-(4-methylsulfonylphenyl)-2-[(8…

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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) 3.61 -5.51 -20.49 1 6 0 89 455.586 6 ↓

Analogs

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Popular Name: N-[4-(difluoromethylsulfonyl)phenyl]-2-[(8-phenyl-7-thia-3,5-diazabicyclo[4.3.0]nona-1,3,5,8-tetraen N-[4-(difluoromethylsulfonyl)phe…

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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) 4.17 -4.45 -17.67 1 6 0 89 491.566 7 ↓

Analogs

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Popular Name: N-methyl-N-(4-nitrophenyl)-2-[(8-phenyl-7-thia-3,5-diazabicyclo[4.3.0]nona-2,4,8,10-tetraen-2-yl)sul N-methyl-N-(4-nitrophenyl)-2-[(8…

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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) 4.95 0.24 -15.1 0 7 0 92 436.518 6 ↓

Analogs

23560394
23560394

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Popular Name: N-(2-methyl-5-nitro-phenyl)-2-(6-phenylthieno[3,2-e]pyrimidin-4-yl)sulfanyl-acetamide N-(2-methyl-5-nitro-phenyl)-2-(6…

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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) 5.08 12.39 -21.36 1 7 0 101 436.518 6 ↓

Analogs

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Popular Name: N-(3-acetamidophenyl)-2-(6-phenylthieno[3,2-e]pyrimidin-4-yl)sulfanyl-acetamide N-(3-acetamidophenyl)-2-(6-pheny…

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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) 3.94 9.79 -16.96 2 6 0 84 434.546 6 ↓

Analogs

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Popular Name: N-(2-methyl-6-nitro-phenyl)-2-(6-phenylthieno[3,2-e]pyrimidin-4-yl)sulfanyl-acetamide N-(2-methyl-6-nitro-phenyl)-2-(6…

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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) 5.05 12.59 -13.68 1 7 0 101 436.518 6 ↓

Analogs

20895024
20895024

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Popular Name: (2R)-2-(2-methyl-6-phenyl-thieno[3,2-e]pyrimidin-4-yl)sulfanyl-N-(4-sulfamoylphenyl)propanamide (2R)-2-(2-methyl-6-phenyl-thieno…

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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) 3.89 6.68 -24.06 3 7 0 115 484.628 6 ↓

Analogs

20895021
20895021

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Popular Name: (2S)-2-(2-methyl-6-phenyl-thieno[3,2-e]pyrimidin-4-yl)sulfanyl-N-(4-sulfamoylphenyl)propanamide (2S)-2-(2-methyl-6-phenyl-thieno…

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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) 3.89 6.69 -24.34 3 7 0 115 484.628 6 ↓

Analogs

20895035
20895035
3521821
3521821
3521822
3521822

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Popular Name: (2R)-2-(6-phenylthieno[3,2-e]pyrimidin-4-yl)sulfanyl-N-(4-sulfamoylphenyl)propanamide (2R)-2-(6-phenylthieno[3,2-e]pyr…

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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) 3.80 6.76 -23.67 3 7 0 115 470.601 6 ↓

Analogs

20895032
20895032

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Popular Name: (2S)-2-(6-phenylthieno[3,2-e]pyrimidin-4-yl)sulfanyl-N-(4-sulfamoylphenyl)propanamide (2S)-2-(6-phenylthieno[3,2-e]pyr…

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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) 3.80 6.77 -23.78 3 7 0 115 470.601 6 ↓

Analogs

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Popular Name: 2-[[2-(2-methyl-6-phenyl-thieno[3,2-e]pyrimidin-4-yl)sulfanylacetyl]amino]terephthalic 2-[[2-(2-methyl-6-phenyl-thieno[…

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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) 4.76 10.51 -105.39 1 8 -2 135 477.523 7 ↓

Analogs

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Popular Name: (E)-3-[4-[[2-(2-methyl-6-phenyl-thieno[3,2-e]pyrimidin-4-yl)sulfanylacetyl]amino]phenyl]prop-2-enoic (E)-3-[4-[[2-(2-methyl-6-phenyl-…

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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) 4.80 11.72 -61.17 1 6 -1 95 460.56 7 ↓

Analogs

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Popular Name: 2-[[2-(6-phenylthieno[3,2-e]pyrimidin-4-yl)sulfanylacetyl]amino]terephthalic 2-[[2-(6-phenylthieno[3,2-e]pyri…

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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) 4.67 10.57 -105.09 1 8 -2 135 463.496 7 ↓

Analogs

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Popular Name: (E)-3-[4-[[2-(6-phenylthieno[3,2-e]pyrimidin-4-yl)sulfanylacetyl]amino]phenyl]prop-2-enoic (E)-3-[4-[[2-(6-phenylthieno[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) 4.71 11.78 -60.8 1 6 -1 95 446.533 7 ↓

Analogs

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Popular Name: N-(2-methoxyphenyl)-2-[(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)thio]acetamide N-(2-methoxyphenyl)-2-[(2-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) 4.84 10.23 -12.03 1 5 0 64 421.547 6 ↓

Analogs

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Popular Name: N-(2-fluorophenyl)-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)thio]acetamide N-(2-fluorophenyl)-2-[(6-phenylt…

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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) 4.86 -1.1 -10.49 1 4 0 54 395.484 5 ↓

Analogs

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Popular Name: N-(2,6-dichlorophenyl)-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)thio]acetamide N-(2,6-dichlorophenyl)-2-[(6-phe…

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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) 6.00 -1.78 -11.83 1 4 0 54 446.384 5 ↓

Analogs

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Popular Name: BRD-K87365312-001-01-9 BRD-K87365312-001-01-9

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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) 5.59 0.53 -9.89 1 4 0 54 445.491 6 ↓

Analogs

3386152
3386152

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Popular Name: BRD-K11965813-001-01-1 BRD-K11965813-001-01-1

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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) 5.40 -1.96 -15.18 1 5 0 64 441.965 6 ↓

Analogs

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Popular Name: BRD-A20515025-001-01-9 BRD-A20515025-001-01-9

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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) 6.39 -1.33 -9.81 1 4 0 54 460.411 5 ↓

Analogs

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Popular Name: BRD-A20515025-001-01-9 BRD-A20515025-001-01-9

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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) 6.39 -1.34 -9.85 1 4 0 54 460.411 5 ↓

Analogs

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Popular Name: BRD-A52162158-001-01-0 BRD-A52162158-001-01-0

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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) 5.95 1.23 -9.49 1 4 0 54 459.518 6 ↓

Analogs

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Popular Name: BRD-A52162158-001-01-0 BRD-A52162158-001-01-0

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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) 5.95 1.22 -9.68 1 4 0 54 459.518 6 ↓

Analogs

16763197
16763197
16763199
16763199

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Popular Name: BRD-A30455275-001-01-3 BRD-A30455275-001-01-3

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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) 5.54 -1.19 -12.63 1 5 0 64 435.574 7 ↓

Analogs

16763197
16763197
16763199
16763199

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Popular Name: BRD-A30455275-001-01-3 BRD-A30455275-001-01-3

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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) 5.54 -1.18 -12.81 1 5 0 64 435.574 7 ↓

Analogs

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Popular Name: dimethyl 5-({[(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetyl}amino)isophthalate dimethyl 5-({[(6-phenylthieno[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) 5.01 0.39 -17.15 1 8 0 107 493.566 9 ↓

Parameters Provided:

ring.id = 18327
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 = 18327 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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