UCSF
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Analogs

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Popular Name: (2R)-2-phenyl-2-(thieno[3,2-c]pyridin-4-ylamino)propanoic (2R)-2-phenyl-2-(thieno[3,2-c]py…

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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) 3.06 9.21 -28.17 2 4 0 66 298.367 4 ↓
Hi High (pH 8-9.5) 3.06 9.49 -53.54 1 4 -1 65 297.359 4 ↓

Analogs

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Popular Name: (2S)-2-phenyl-2-(thieno[3,2-c]pyridin-4-ylamino)propanoic (2S)-2-phenyl-2-(thieno[3,2-c]py…

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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) 3.06 9.15 -28.53 2 4 0 66 298.367 4 ↓
Hi High (pH 8-9.5) 3.06 9.5 -53.53 1 4 -1 65 297.359 4 ↓

Analogs

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Popular Name: N-[[4-(2-aminoethyl)phenyl]methyl]thieno[3,2-c]pyridin-4-amine N-[[4-(2-aminoethyl)phenyl]methy…

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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) 2.17 7.11 -83.54 5 3 2 54 285.416 5 ↓
Mid Mid (pH 6-8) 2.17 6.76 -49.88 4 3 1 53 284.408 5 ↓

Analogs

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Popular Name: N-[(3-aminophenyl)methyl]thieno[3,2-c]pyridin-4-amine N-[(3-aminophenyl)methyl]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) 2.24 6.16 -31.14 4 3 1 52 256.354 3 ↓
Mid Mid (pH 6-8) 2.24 5.81 -6.13 3 3 0 51 255.346 3 ↓

Analogs

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Popular Name: N-[[4-(trifluoromethyl)phenyl]methyl]thieno[3,2-c]pyridin-4-amine N-[[4-(trifluoromethyl)phenyl]me…

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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) 4.08 9.3 -36.71 2 2 1 26 309.336 4 ↓
Mid Mid (pH 6-8) 4.08 8.94 -6.09 1 2 0 25 308.328 4 ↓

Analogs

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Popular Name: N-[[4-(methylsulfonylmethyl)phenyl]methyl]thieno[3,2-c]pyridin-4-amine N-[[4-(methylsulfonylmethyl)phen…

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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) 2.56 6.52 -41.25 2 4 1 60 333.458 5 ↓
Mid Mid (pH 6-8) 2.56 6.17 -16.36 1 4 0 59 332.45 5 ↓

Analogs

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Popular Name: (2S)-2-phenyl-2-(thieno[3,2-c]pyridin-4-ylamino)ethanol (2S)-2-phenyl-2-(thieno[3,2-c]py…

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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 5.95 -32.48 3 3 1 46 271.365 4 ↓
Mid Mid (pH 6-8) 2.74 5.61 -6.68 2 3 0 45 270.357 4 ↓

Analogs

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Popular Name: (2R)-2-phenyl-2-(thieno[3,2-c]pyridin-4-ylamino)ethanol (2R)-2-phenyl-2-(thieno[3,2-c]py…

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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 5.95 -32.47 3 3 1 46 271.365 4 ↓
Mid Mid (pH 6-8) 2.74 5.61 -6.69 2 3 0 45 270.357 4 ↓

Analogs

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Popular Name: 3-[(thieno[3,2-c]pyridin-4-ylamino)methyl]benzoic 3-[(thieno[3,2-c]pyridin-4-ylami…

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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) 3.08 8.85 -64.7 2 4 0 66 284.34 4 ↓
Mid Mid (pH 6-8) 3.08 8.5 -51.8 1 4 -1 65 283.332 4 ↓

Analogs

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Popular Name: N-[(1S)-1-(2-fluorophenyl)ethyl]thieno[3,2-c]pyridin-4-amine N-[(1S)-1-(2-fluorophenyl)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) 3.86 9.2 -29.42 2 2 1 26 273.356 3 ↓
Hi High (pH 8-9.5) 3.86 8.87 -7.72 1 2 0 25 272.348 3 ↓

Analogs

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Popular Name: N-[(1R)-1-(2-fluorophenyl)ethyl]thieno[3,2-c]pyridin-4-amine N-[(1R)-1-(2-fluorophenyl)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) 3.86 9.2 -29.48 2 2 1 26 273.356 3 ↓
Hi High (pH 8-9.5) 3.86 8.86 -7.67 1 2 0 25 272.348 3 ↓

Analogs

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Popular Name: N-[(1S)-1-(3-fluorophenyl)ethyl]thieno[3,2-c]pyridin-4-amine N-[(1S)-1-(3-fluorophenyl)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) 3.89 9.19 -33.15 2 2 1 26 273.356 3 ↓
Hi High (pH 8-9.5) 3.89 8.85 -6.78 1 2 0 25 272.348 3 ↓

Analogs

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Popular Name: N-[(1R)-1-(3-fluorophenyl)ethyl]thieno[3,2-c]pyridin-4-amine N-[(1R)-1-(3-fluorophenyl)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) 3.89 9.19 -33.16 2 2 1 26 273.356 3 ↓
Hi High (pH 8-9.5) 3.89 8.85 -6.78 1 2 0 25 272.348 3 ↓

Analogs

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Popular Name: 4-[[methyl(thieno[3,2-c]pyridin-4-yl)amino]methyl]benzoic 4-[[methyl(thieno[3,2-c]pyridin-…

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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) 3.35 10.54 -60.64 1 4 0 58 298.367 4 ↓
Hi High (pH 8-9.5) 3.35 10.05 -55.2 0 4 -1 56 297.359 4 ↓

Analogs

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Popular Name: N-[(3,4-difluorophenyl)methyl]thieno[3,2-c]pyridin-4-amine N-[(3,4-difluorophenyl)methyl]th…

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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) 3.44 8.42 -39.28 2 2 1 26 277.319 3 ↓
Mid Mid (pH 6-8) 3.44 8.06 -7.44 1 2 0 25 276.311 3 ↓

Parameters Provided:

ring.id = 30313
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 = 30313 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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