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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: 2,2,2-trifluoro-1-[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]ethanone 2,2,2-trifluoro-1-[1-[2-(4-metho…

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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) 2.40 5.77 -10.38 0 5 0 57 299.252 6 ↓

Analogs

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Popular Name: 2,2,2-trifluoro-1-[1-[(2S)-2-hydroxy-2-phenyl-propyl]triazol-4-yl]ethanone 2,2,2-trifluoro-1-[1-[(2S)-2-hyd…

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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) 1.94 4.08 -11.4 1 5 0 68 299.252 5 ↓

Analogs

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Popular Name: 2,2,2-trifluoro-1-[1-[(2R)-2-hydroxy-2-phenyl-propyl]triazol-4-yl]ethanone 2,2,2-trifluoro-1-[1-[(2R)-2-hyd…

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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) 1.94 3.73 -10.94 1 5 0 68 299.252 5 ↓

Analogs

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Popular Name: 2,2,2-trifluoro-1-[1-[(2S)-2-hydroxy-2-phenyl-ethyl]triazol-4-yl]ethanone 2,2,2-trifluoro-1-[1-[(2S)-2-hyd…

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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) 1.35 3.42 -10.93 1 5 0 68 285.225 5 ↓

Analogs

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Popular Name: 2,2,2-trifluoro-1-[1-[(2R)-2-hydroxy-2-phenyl-ethyl]triazol-4-yl]ethanone 2,2,2-trifluoro-1-[1-[(2R)-2-hyd…

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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) 1.35 3.32 -11.55 1 5 0 68 285.225 5 ↓

Analogs

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Popular Name: 2,2,2-trifluoro-1-(1-phenethyltriazol-4-yl)ethanone 2,2,2-trifluoro-1-(1-phenethyltr…

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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) 2.34 6.47 -8.55 0 4 0 48 269.226 5 ↓

Analogs

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Popular Name: (2S)-2-[4-[(2S)-2-amino-3-hydroxy-3-oxo-propyl]triazol-1-yl]-3-phenyl-propanoic (2S)-2-[4-[(2S)-2-amino-3-hydrox…

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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) -2.04 5.37 -62.85 3 8 -1 139 303.298 7 ↓
Hi High (pH 8-9.5) -2.04 4.85 -92.99 2 8 -2 137 302.29 7 ↓
Lo Low (pH 4.5-6) -2.04 3.27 -39.39 4 8 0 136 304.306 7 ↓

Analogs

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Popular Name: 2-[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]propan-2-amine 2-[1-[2-(4-methoxyphenyl)ethyl]t…

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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) 2.14 4.15 -54.63 3 5 1 68 261.349 5 ↓
Hi High (pH 8-9.5) 2.14 3.89 -9.48 2 5 0 66 260.341 5 ↓

Analogs

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Popular Name: 2-[1-[2-(2-nitrophenyl)ethyl]triazol-4-yl]propan-2-amine 2-[1-[2-(2-nitrophenyl)ethyl]tri…

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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) 2.00 5.23 -49.42 3 7 1 104 276.32 5 ↓
Hi High (pH 8-9.5) 2.00 4.99 -10.63 2 7 0 103 275.312 5 ↓

Analogs

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Popular Name: (2R)-1-[4-(1-amino-1-methyl-ethyl)triazol-1-yl]-2-phenyl-propan-2-ol (2R)-1-[4-(1-amino-1-methyl-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) 1.68 2.08 -50.73 4 5 1 79 261.349 4 ↓
Hi High (pH 8-9.5) 1.68 1.83 -11.44 3 5 0 77 260.341 4 ↓

Analogs

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Popular Name: (2S)-1-[4-(1-amino-1-methyl-ethyl)triazol-1-yl]-2-phenyl-propan-2-ol (2S)-1-[4-(1-amino-1-methyl-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) 1.68 2.44 -51.88 4 5 1 79 261.349 4 ↓
Hi High (pH 8-9.5) 1.68 2.18 -12.05 3 5 0 77 260.341 4 ↓

Analogs

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Popular Name: (1R)-2-[4-(1-amino-1-methyl-ethyl)triazol-1-yl]-1-phenyl-ethanol (1R)-2-[4-(1-amino-1-methyl-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) 1.09 1.68 -55.34 4 5 1 79 247.322 4 ↓
Hi High (pH 8-9.5) 1.09 1.43 -10.96 3 5 0 77 246.314 4 ↓

Analogs

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Popular Name: (1S)-2-[4-(1-amino-1-methyl-ethyl)triazol-1-yl]-1-phenyl-ethanol (1S)-2-[4-(1-amino-1-methyl-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) 1.09 1.81 -53.92 4 5 1 79 247.322 4 ↓
Hi High (pH 8-9.5) 1.09 1.56 -10.23 3 5 0 77 246.314 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-[2-(4-nitrophenyl)ethyl]triazol-4-yl]propan-2-amine 2-[1-[2-(4-nitrophenyl)ethyl]tri…

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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) 2.04 5.56 -61.03 3 7 1 104 276.32 5 ↓
Hi High (pH 8-9.5) 2.04 5.31 -13.19 2 7 0 103 275.312 5 ↓

Analogs

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Popular Name: 2-(1-phenethyltriazol-4-yl)propan-2-amine 2-(1-phenethyltriazol-4-yl)propa…

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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) 2.09 4.85 -52.22 3 4 1 58 231.323 4 ↓
Hi High (pH 8-9.5) 2.09 4.6 -7.9 2 4 0 57 230.315 4 ↓

Parameters Provided:

ring.id = 103840
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 = 103840 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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