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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: (2R)-1-[(4-methoxyphenyl)methoxy]-3-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]ami (2R)-1-[(4-methoxyphenyl)methoxy…

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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) 0.64 4.48 -59.06 3 7 1 86 333.412 8 ↓
Hi High (pH 8-9.5) 0.64 3.35 -12.72 2 7 0 81 332.404 8 ↓

Analogs

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Popular Name: (2S)-1-[(4-methoxyphenyl)methoxy]-3-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]ami (2S)-1-[(4-methoxyphenyl)methoxy…

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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) 0.64 4.53 -58.85 3 7 1 86 333.412 8 ↓
Hi High (pH 8-9.5) 0.64 3.32 -12.87 2 7 0 81 332.404 8 ↓

Analogs

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Popular Name: (2R)-1-[(4-methoxyphenyl)methoxy]-3-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]ami (2R)-1-[(4-methoxyphenyl)methoxy…

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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) 0.64 4.48 -58.88 3 7 1 86 333.412 8 ↓
Hi High (pH 8-9.5) 0.64 3.32 -13.21 2 7 0 81 332.404 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[(4-methoxyphenyl)methoxy]-3-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]ami (2S)-1-[(4-methoxyphenyl)methoxy…

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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) 0.64 4.53 -59.04 3 7 1 86 333.412 8 ↓
Hi High (pH 8-9.5) 0.64 3.3 -13.33 2 7 0 81 332.404 8 ↓

Analogs

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Popular Name: (2R)-1-[(4-chlorophenyl)methoxy]-3-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amin (2R)-1-[(4-chlorophenyl)methoxy]…

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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) 1.26 5.7 -58.51 3 6 1 77 337.831 7 ↓
Hi High (pH 8-9.5) 1.26 4.56 -11.36 2 6 0 72 336.823 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[(4-chlorophenyl)methoxy]-3-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amin (2S)-1-[(4-chlorophenyl)methoxy]…

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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) 1.26 5.74 -58.26 3 6 1 77 337.831 7 ↓
Hi High (pH 8-9.5) 1.26 4.54 -11.47 2 6 0 72 336.823 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[(4-chlorophenyl)methoxy]-3-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amin (2R)-1-[(4-chlorophenyl)methoxy]…

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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) 1.26 5.7 -58.31 3 6 1 77 337.831 7 ↓
Hi High (pH 8-9.5) 1.26 4.53 -11.74 2 6 0 72 336.823 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[(4-chlorophenyl)methoxy]-3-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amin (2S)-1-[(4-chlorophenyl)methoxy]…

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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) 1.26 5.73 -58.41 3 6 1 77 337.831 7 ↓
Hi High (pH 8-9.5) 1.26 4.52 -11.93 2 6 0 72 336.823 7 ↓

Analogs

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Popular Name: (2S)-1-benzyloxy-3-[[(6R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan (2S)-1-benzyloxy-3-[[(6R)-2-ethy…

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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) 1.24 5.72 -57.13 3 6 1 77 331.44 8 ↓
Hi High (pH 8-9.5) 1.24 4.56 -12.39 2 6 0 72 330.432 8 ↓

Analogs

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Popular Name: (2S)-1-benzyloxy-3-[[(6S)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan (2S)-1-benzyloxy-3-[[(6S)-2-ethy…

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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) 1.24 5.73 -57.17 3 6 1 77 331.44 8 ↓
Hi High (pH 8-9.5) 1.24 4.58 -11.77 2 6 0 72 330.432 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-benzyloxy-3-[[(6R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan (2R)-1-benzyloxy-3-[[(6R)-2-ethy…

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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) 1.24 5.68 -57.39 3 6 1 77 331.44 8 ↓
Hi High (pH 8-9.5) 1.24 4.45 -12.57 2 6 0 72 330.432 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-benzyloxy-3-[[(6S)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan (2R)-1-benzyloxy-3-[[(6S)-2-ethy…

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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) 1.24 5.68 -57.1 3 6 1 77 331.44 8 ↓
Hi High (pH 8-9.5) 1.24 4.47 -11.98 2 6 0 72 330.432 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-benzyloxy-3-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-2-ol (2R)-1-benzyloxy-3-[[(6R)-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) 0.58 5.18 -57.17 3 6 1 77 303.386 7 ↓
Hi High (pH 8-9.5) 0.58 4.05 -11.34 2 6 0 72 302.378 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-benzyloxy-3-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-2-ol (2S)-1-benzyloxy-3-[[(6R)-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) 0.58 5.22 -56.94 3 6 1 77 303.386 7 ↓
Hi High (pH 8-9.5) 0.58 4.02 -11.51 2 6 0 72 302.378 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-benzyloxy-3-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-2-ol (2R)-1-benzyloxy-3-[[(6S)-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) 0.58 5.18 -57.02 3 6 1 77 303.386 7 ↓
Hi High (pH 8-9.5) 0.58 4.02 -11.82 2 6 0 72 302.378 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-benzyloxy-3-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-2-ol (2S)-1-benzyloxy-3-[[(6S)-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) 0.58 5.22 -57.04 3 6 1 77 303.386 7 ↓
Hi High (pH 8-9.5) 0.58 4 -11.83 2 6 0 72 302.378 7 ↓

Parameters Provided:

ring.id = 431756
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 = 431756 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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