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Analogs

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Popular Name: (2S)-1-(1,2,5-thiadiazol-3-yloxy)-3-[[(1S)-1-(2-thienyl)propyl]amino]propan-2-ol (2S)-1-(1,2,5-thiadiazol-3-yloxy…

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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) 2.21 0.75 -40.64 3 5 1 72 300.429 8 ↓
Hi High (pH 8-9.5) 2.21 -0.62 -5.54 2 5 0 67 299.421 8 ↓

Analogs

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Popular Name: (2S)-1-(1,2,5-thiadiazol-3-yloxy)-3-[[(1R)-1-(2-thienyl)propyl]amino]propan-2-ol (2S)-1-(1,2,5-thiadiazol-3-yloxy…

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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) 2.21 0.79 -40.3 3 5 1 72 300.429 8 ↓
Hi High (pH 8-9.5) 2.21 -0.64 -6.17 2 5 0 67 299.421 8 ↓

Analogs

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Popular Name: (2R)-1-(1,2,5-thiadiazol-3-yloxy)-3-[[(1S)-1-(2-thienyl)propyl]amino]propan-2-ol (2R)-1-(1,2,5-thiadiazol-3-yloxy…

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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) 2.21 0.74 -40.38 3 5 1 72 300.429 8 ↓
Hi High (pH 8-9.5) 2.21 -0.74 -5.7 2 5 0 67 299.421 8 ↓

Analogs

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Popular Name: (2R)-1-(1,2,5-thiadiazol-3-yloxy)-3-[[(1R)-1-(2-thienyl)propyl]amino]propan-2-ol (2R)-1-(1,2,5-thiadiazol-3-yloxy…

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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) 2.21 0.71 -40.66 3 5 1 72 300.429 8 ↓
Hi High (pH 8-9.5) 2.21 -0.71 -6.25 2 5 0 67 299.421 8 ↓

Analogs

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Popular Name: (2S)-1-(1,2,5-thiadiazol-3-yloxy)-3-[[(1S)-1-(2-thienyl)butyl]amino]propan-2-ol (2S)-1-(1,2,5-thiadiazol-3-yloxy…

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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) 2.77 1.51 -41.74 3 5 1 72 314.456 9 ↓
Hi High (pH 8-9.5) 2.77 0.15 -5.51 2 5 0 67 313.448 9 ↓

Analogs

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Popular Name: (2S)-1-(1,2,5-thiadiazol-3-yloxy)-3-[[(1R)-1-(2-thienyl)butyl]amino]propan-2-ol (2S)-1-(1,2,5-thiadiazol-3-yloxy…

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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) 2.77 1.56 -41.42 3 5 1 72 314.456 9 ↓
Hi High (pH 8-9.5) 2.77 0.14 -6.09 2 5 0 67 313.448 9 ↓

Analogs

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Popular Name: (2R)-1-(1,2,5-thiadiazol-3-yloxy)-3-[[(1S)-1-(2-thienyl)butyl]amino]propan-2-ol (2R)-1-(1,2,5-thiadiazol-3-yloxy…

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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) 2.77 1.51 -41.47 3 5 1 72 314.456 9 ↓
Hi High (pH 8-9.5) 2.77 0.03 -5.63 2 5 0 67 313.448 9 ↓

Analogs

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Popular Name: (2R)-1-(1,2,5-thiadiazol-3-yloxy)-3-[[(1R)-1-(2-thienyl)butyl]amino]propan-2-ol (2R)-1-(1,2,5-thiadiazol-3-yloxy…

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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) 2.77 1.47 -41.85 3 5 1 72 314.456 9 ↓
Hi High (pH 8-9.5) 2.77 0.05 -6.19 2 5 0 67 313.448 9 ↓

Analogs

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Popular Name: (2S)-1-[[(1S)-2-methyl-1-(2-thienyl)propyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol (2S)-1-[[(1S)-2-methyl-1-(2-thie…

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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) 2.45 1.26 -40.75 3 5 1 72 314.456 8 ↓
Hi High (pH 8-9.5) 2.45 0.08 -5.3 2 5 0 67 313.448 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[[(1R)-2-methyl-1-(2-thienyl)propyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol (2S)-1-[[(1R)-2-methyl-1-(2-thie…

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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) 2.45 1.28 -40.41 3 5 1 72 314.456 8 ↓
Hi High (pH 8-9.5) 2.45 -0.12 -6 2 5 0 67 313.448 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[[(1S)-2-methyl-1-(2-thienyl)propyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol (2R)-1-[[(1S)-2-methyl-1-(2-thie…

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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) 2.45 1.22 -40.61 3 5 1 72 314.456 8 ↓
Hi High (pH 8-9.5) 2.45 -0.03 -5.46 2 5 0 67 313.448 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[[(1R)-2-methyl-1-(2-thienyl)propyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol (2R)-1-[[(1R)-2-methyl-1-(2-thie…

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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) 2.45 1.19 -40.82 3 5 1 72 314.456 8 ↓
Hi High (pH 8-9.5) 2.45 -0.27 -6.02 2 5 0 67 313.448 8 ↓

Parameters Provided:

ring.id = 579763
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 = 579763 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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