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Analogs

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Popular Name: (3S)-3-[(7aS)-2,3-dimethyl-7aH-indol-5-yl]-4-(4-bromophenyl)-3H-1,2,4-triazole-5-thione (3S)-3-[(7aS)-2,3-dimethyl-7aH-i…

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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) 4.96 7.58 -41.75 1 4 1 42 400.325 2 ↓

Analogs

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Popular Name: (3S)-3-[(7aR)-2,3-dimethyl-7aH-indol-5-yl]-4-(4-bromophenyl)-3H-1,2,4-triazole-5-thione (3S)-3-[(7aR)-2,3-dimethyl-7aH-i…

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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) 4.96 7.59 -41.61 1 4 1 42 400.325 2 ↓

Analogs

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Popular Name: 2-[[(5R)-5-[(7aS)-2,3-dimethyl-7aH-indol-5-yl]-4-benzyl-1,5-dihydro-1,2,4-triazol-3-yl]sulfanyl]-N-( 2-[[(5R)-5-[(7aS)-2,3-dimethyl-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) 4.44 12.62 -12.89 2 6 0 69 497.668 7 ↓

Analogs

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Popular Name: N-(4-acetylphenyl)-2-[[(5S)-5-[(7aS)-2,3-dimethyl-7aH-indol-5-yl]-4-benzyl-1,5-dihydro-1,2,4-triazol N-(4-acetylphenyl)-2-[[(5S)-5-[(…

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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) 4.48 11.31 -14.05 2 7 0 86 511.651 8 ↓

Analogs

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Popular Name: N-(4-acetylphenyl)-2-[[(5S)-5-[(7aR)-2,3-dimethyl-7aH-indol-5-yl]-4-benzyl-1,5-dihydro-1,2,4-triazol N-(4-acetylphenyl)-2-[[(5S)-5-[(…

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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) 4.48 11.2 -15.68 2 7 0 86 511.651 8 ↓

Analogs

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Popular Name: N-(4-acetylphenyl)-2-[[(5R)-5-[(7aR)-2,3-dimethyl-7aH-indol-5-yl]-4-benzyl-1,5-dihydro-1,2,4-triazol N-(4-acetylphenyl)-2-[[(5R)-5-[(…

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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) 4.48 11.63 -15.8 2 7 0 86 511.651 8 ↓

Analogs

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Popular Name: N-[(7aR)-7aH-indol-5-yl]-2-(5-hydroxy-2,2-dimethyl-4-oxo-chroman-7-yl)oxy-acetamide N-[(7aR)-7aH-indol-5-yl]-2-(5-hy…

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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) 2.65 4.84 -19.24 2 7 0 97 380.4 4 ↓
Hi High (pH 8-9.5) 2.65 5.83 -57.4 1 7 -1 100 379.392 4 ↓

Parameters Provided:

ring.id = 348344
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 = 348344 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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