UCSF
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Analogs

5881024
5881024

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Popular Name: 4-[5-[(7R)-7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-2-yl]-2-furyl]benzoic 4-[5-[(7R)-7-methyl-4-oxo-5,6,7,…

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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) 5.48 9.5 -74.95 1 6 -1 99 405.455 3 ↓

Analogs

5881024
5881024

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Popular Name: 4-[5-[(7S)-7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-2-yl]-2-furyl]benzoic 4-[5-[(7S)-7-methyl-4-oxo-5,6,7,…

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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) 5.48 9.5 -74.92 1 6 -1 99 405.455 3 ↓

Analogs

1278465
1278465

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Popular Name: 2-[5-(4-oxo-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-2-yl)-2-furyl]benzoic 2-[5-(4-oxo-5,6,7,8-tetrahydro-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) 4.62 9.52 -89.91 1 6 -1 99 391.428 3 ↓

Analogs

12900561
12900561

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Popular Name: 2-[[4-(4-isopropoxy-3-methoxy-benzoyl)piperazin-1-yl]methyl]-5,6,7,8-tetrahydro-3H-benzothiopheno[3, 2-[[4-(4-isopropoxy-3-methoxy-be…

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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) 2.67 11.26 -70.77 2 8 1 89 497.641 6 ↓
Mid Mid (pH 6-8) 2.67 11.35 -67.26 2 8 1 89 497.641 6 ↓
Mid Mid (pH 6-8) 2.67 9.21 -20.58 1 8 0 88 496.633 6 ↓

Analogs

36636124
36636124
36636125
36636125

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Popular Name: 2-[[keto(dimethyl)BLAHyl]methylthio]-5,6,7,8-tetrahydro-1H-benzothiopheno[2,3-d]pyrimidin-4-one 2-[[keto(dimethyl)BLAHyl]methylt…

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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) 5.26 9.24 -29.02 1 6 0 81 488.685 3 ↓
Hi High (pH 8-9.5) 5.72 7.86 -56.49 0 6 -1 84 487.677 3 ↓

Analogs

36636124
36636124
36636125
36636125

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Popular Name: 2-[[keto(dimethyl)BLAHyl]methylthio]-5,6,7,8-tetrahydro-1H-benzothiopheno[2,3-d]pyrimidin-4-one 2-[[keto(dimethyl)BLAHyl]methylt…

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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) 5.26 9.33 -33.59 1 6 0 81 488.685 3 ↓
Hi High (pH 8-9.5) 5.72 7.96 -61.77 0 6 -1 84 487.677 3 ↓

Analogs

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Popular Name: 2-[[2-[(4-oxo-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoi 2-[[2-[(4-oxo-5,6,7,8-tetrahydro…

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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 8.22 -57.89 2 7 -1 115 414.488 5 ↓
Hi High (pH 8-9.5) 4.70 6.85 -107.3 1 7 -2 118 413.48 5 ↓

Analogs

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Popular Name: 4,5-dimethyl-2-[[2-[(4-oxo-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl 4,5-dimethyl-2-[[2-[(4-oxo-5,6,7…

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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) 3.33 4.37 -21.61 4 7 0 118 448.595 5 ↓
Mid Mid (pH 6-8) 3.78 2.99 -52.71 3 7 -1 121 447.587 5 ↓

Analogs

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Popular Name: N-(5-cyano-3-phenyl-2-thioxo-thiazol-4-yl)-2-[(4-oxo-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyri N-(5-cyano-3-phenyl-2-thioxo-thi…

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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) 4.56 10.21 -47.06 1 7 -1 110 510.671 5 ↓
Hi High (pH 8-9.5) 5.02 8.85 -101.39 0 7 -2 113 509.663 5 ↓

Analogs

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Popular Name: 2-[(Z)-2-(5-chloro-1-isobutyl-3-methyl-pyrazol-4-yl)-1-(2-pyridyl)vinyl]-5,6,7,8-tetrahydro-3H-benzo 2-[(Z)-2-(5-chloro-1-isobutyl-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) 4.86 11.3 -21.72 1 6 0 76 480.037 5 ↓
Hi High (pH 8-9.5) 5.31 9.75 -55.82 0 6 -1 80 479.029 5 ↓

Analogs

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Popular Name: 2-[(E)-2-(1-benzylpyrazol-4-yl)-1-(2-pyridyl)vinyl]-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrim 2-[(E)-2-(1-benzylpyrazol-4-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) 4.30 12.16 -30.44 1 6 0 76 465.582 5 ↓
Hi High (pH 8-9.5) 4.76 10.93 -58.89 0 6 -1 80 464.574 5 ↓

Parameters Provided:

ring.id = 18273
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 = 18273 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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