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Analogs

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Popular Name: 1-(3-thienylmethyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-(3-thienylmethyl)-2,3,4,5-tetr…

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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 7.48 -37.04 2 2 1 20 245.371 2 ↓
Hi High (pH 8-9.5) 2.40 6.21 -3.69 1 2 0 15 244.363 2 ↓

Analogs

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Popular Name: 1-[(1S)-1-(3-thienyl)ethyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-[(1S)-1-(3-thienyl)ethyl]-2,3,…

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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) 2.96 7.96 -40.21 2 2 1 20 259.398 2 ↓
Hi High (pH 8-9.5) 2.96 6.7 -2.86 1 2 0 15 258.39 2 ↓

Analogs

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Popular Name: 1-[(1R)-1-(3-thienyl)ethyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-[(1R)-1-(3-thienyl)ethyl]-2,3,…

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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) 2.96 7.43 -37.58 2 2 1 20 259.398 2 ↓
Hi High (pH 8-9.5) 2.96 6.16 -3.46 1 2 0 15 258.39 2 ↓

Analogs

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Popular Name: 1-[(5-nitro-3-thienyl)methyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-[(5-nitro-3-thienyl)methyl]-2,…

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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) 2.48 8.44 -49.23 2 5 1 66 290.368 3 ↓
Hi High (pH 8-9.5) 2.48 7.17 -10.21 1 5 0 61 289.36 3 ↓

Analogs

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Popular Name: 1-[(2,5-dimethyl-3-thienyl)methyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-[(2,5-dimethyl-3-thienyl)methy…

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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) 2.84 9.53 -43.48 2 2 1 20 273.425 2 ↓
Hi High (pH 8-9.5) 2.84 8.28 -4.03 1 2 0 15 272.417 2 ↓

Analogs

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Popular Name: 1-[(5-bromo-3-thienyl)methyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-[(5-bromo-3-thienyl)methyl]-2,…

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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) 3.33 8.21 -39.09 2 2 1 20 324.267 2 ↓
Hi High (pH 8-9.5) 3.33 6.94 -4.12 1 2 0 15 323.259 2 ↓

Parameters Provided:

ring.id = 280367
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 = 280367 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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