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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: N-[(1S)-5-chloroindan-1-yl]-5-oxo-1,2-dihydro-1,2,4-triazole-3-carboxamide N-[(1S)-5-chloroindan-1-yl]-5-ox…

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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) 0.83 2.48 -9.74 3 6 0 91 278.699 2 ↓
Mid Mid (pH 6-8) 1.29 -0.06 -46.85 2 6 -1 94 277.691 2 ↓
Lo Low (pH 4.5-6) 1.29 1.03 -24.78 3 6 0 95 278.699 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-5-chloroindan-1-yl]-5-oxo-1,2-dihydro-1,2,4-triazole-3-carboxamide N-[(1R)-5-chloroindan-1-yl]-5-ox…

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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) 0.83 2.41 -9.74 3 6 0 91 278.699 2 ↓
Mid Mid (pH 6-8) 1.29 -0.13 -47.67 2 6 -1 94 277.691 2 ↓
Lo Low (pH 4.5-6) 1.29 0.96 -24.64 3 6 0 95 278.699 2 ↓

Analogs

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Popular Name: N-[(1S)-4-chloroindan-1-yl]-5-oxo-1,2-dihydro-1,2,4-triazole-3-carboxamide N-[(1S)-4-chloroindan-1-yl]-5-ox…

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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) 0.81 2.45 -9.04 3 6 0 91 278.699 2 ↓
Mid Mid (pH 6-8) 1.27 -0.09 -46.67 2 6 -1 94 277.691 2 ↓
Lo Low (pH 4.5-6) 1.27 1 -23.88 3 6 0 95 278.699 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-4-chloroindan-1-yl]-5-oxo-1,2-dihydro-1,2,4-triazole-3-carboxamide N-[(1R)-4-chloroindan-1-yl]-5-ox…

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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) 0.81 2.39 -9.22 3 6 0 91 278.699 2 ↓
Mid Mid (pH 6-8) 1.27 -0.15 -46.78 2 6 -1 94 277.691 2 ↓
Lo Low (pH 4.5-6) 1.27 0.94 -23.93 3 6 0 95 278.699 2 ↓

Analogs

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Popular Name: N-[(1S)-4-fluoroindan-1-yl]-5-oxo-1,2-dihydro-1,2,4-triazole-3-carboxamide N-[(1S)-4-fluoroindan-1-yl]-5-ox…

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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) 0.30 2.02 -9.56 3 6 0 91 262.244 2 ↓
Mid Mid (pH 6-8) 0.75 -0.51 -47.04 2 6 -1 94 261.236 2 ↓
Lo Low (pH 4.5-6) 0.75 0.58 -24.45 3 6 0 95 262.244 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-4-fluoroindan-1-yl]-5-oxo-1,2-dihydro-1,2,4-triazole-3-carboxamide N-[(1R)-4-fluoroindan-1-yl]-5-ox…

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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) 0.30 1.96 -9.72 3 6 0 91 262.244 2 ↓
Mid Mid (pH 6-8) 0.75 -0.58 -46.93 2 6 -1 94 261.236 2 ↓
Lo Low (pH 4.5-6) 0.75 0.51 -24.63 3 6 0 95 262.244 2 ↓

Parameters Provided:

ring.id = 554482
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 = 554482 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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