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Analogs

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Popular Name: N-cyclopropyl-N-ethyl-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide N-cyclopropyl-N-ethyl-2-(2,3,4,5…

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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) 1.50 7.65 -48.85 2 4 1 40 274.388 4 ↓
Hi High (pH 8-9.5) 1.50 6.47 -9.52 1 4 0 36 273.38 4 ↓

Analogs

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Popular Name: N-cyclopropyl-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide N-cyclopropyl-2-(2,3,4,5-tetrahy…

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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) 1.38 5.23 -48.07 3 4 1 49 246.334 3 ↓
Hi High (pH 8-9.5) 1.38 3.97 -9.35 2 4 0 44 245.326 3 ↓

Analogs

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Popular Name: (2S)-N-cyclopropyl-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propanamide (2S)-N-cyclopropyl-2-(2,3,4,5-te…

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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) 1.21 5.59 -48.53 3 4 1 49 260.361 3 ↓
Hi High (pH 8-9.5) 1.21 4.32 -9.15 2 4 0 44 259.353 3 ↓

Analogs

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Popular Name: (2R)-N-cyclopropyl-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propanamide (2R)-N-cyclopropyl-2-(2,3,4,5-te…

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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) 1.21 5.35 -36.91 3 4 1 49 260.361 3 ↓
Hi High (pH 8-9.5) 1.21 4.14 -8.11 2 4 0 44 259.353 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-N-methyl-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide N-cyclopropyl-N-methyl-2-(2,3,4,…

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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) 1.13 6.91 -49.35 2 4 1 40 260.361 3 ↓
Hi High (pH 8-9.5) 1.13 5.66 -10.22 1 4 0 36 259.353 3 ↓

Parameters Provided:

ring.id = 280716
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 = 280716 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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