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Analogs

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Popular Name: 3-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)thiophen-2-amine 3-(5-ethyl-2-methyl-1,2,4-triazo…

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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) 0.52 4.14 -14.06 1 4 0 55 208.29 2 ↓
Mid Mid (pH 6-8) 1.43 3.89 -7.99 2 4 0 57 208.29 2 ↓

Analogs

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Popular Name: 3-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-4,5-dimethyl-thiophen-2-amine 3-(5-ethyl-2-methyl-1,2,4-triazo…

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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) 1.43 5.26 -9.69 1 4 0 55 236.344 2 ↓
Mid Mid (pH 6-8) 2.03 5.04 -8.6 2 4 0 57 236.344 2 ↓

Analogs

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Popular Name: 3-(2-methyl-5-propyl-1,2,4-triazol-3-yl)thiophen-2-amine 3-(2-methyl-5-propyl-1,2,4-triaz…

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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) 1.02 4.91 -14.26 1 4 0 55 222.317 3 ↓
Mid Mid (pH 6-8) 1.93 4.66 -7.73 2 4 0 57 222.317 3 ↓

Analogs

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Popular Name: 3-(5-isopropyl-2-methyl-1,2,4-triazol-3-yl)thiophen-2-amine 3-(5-isopropyl-2-methyl-1,2,4-tr…

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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) 1.00 4.6 -14.55 1 4 0 55 222.317 2 ↓
Mid Mid (pH 6-8) 1.91 4.35 -7.9 2 4 0 57 222.317 2 ↓

Analogs

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Popular Name: 3-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)thiophen-2-amine 3-(5-tert-butyl-2-methyl-1,2,4-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) 1.67 5.16 -14.26 1 4 0 55 236.344 2 ↓
Mid Mid (pH 6-8) 2.58 4.91 -7.74 2 4 0 57 236.344 2 ↓

Analogs

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Popular Name: 3-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-4,5-dimethyl-thiophen-2-amine 3-(5-tert-butyl-2-methyl-1,2,4-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) 2.58 6.2 -9.56 1 4 0 55 264.398 2 ↓
Mid Mid (pH 6-8) 3.18 6.1 -8.44 2 4 0 57 264.398 2 ↓

Analogs

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Popular Name: 3-(5-isobutyl-2-methyl-1,2,4-triazol-3-yl)thiophen-2-amine 3-(5-isobutyl-2-methyl-1,2,4-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) 1.27 5.42 -13.34 1 4 0 55 236.344 3 ↓
Mid Mid (pH 6-8) 2.18 5.19 -7.45 2 4 0 57 236.344 3 ↓

Parameters Provided:

ring.id = 143405
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 = 143405 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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