UCSF
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Analogs

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Popular Name: 1-(6-methylpyrimidin-4-yl)-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-(6-methylpyrimidin-4-yl)-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) 1.75 7.71 -42.74 2 4 1 46 241.318 1 ↓

Analogs

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Popular Name: 1-(6-propylpyrimidin-4-yl)-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-(6-propylpyrimidin-4-yl)-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) 2.82 9.28 -42.55 2 4 1 46 269.372 3 ↓

Analogs

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Popular Name: 1-(6-ethylpyrimidin-4-yl)-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-(6-ethylpyrimidin-4-yl)-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) 2.32 8.5 -42.6 2 4 1 46 255.345 2 ↓

Analogs

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Popular Name: 1-(6-isopropylpyrimidin-4-yl)-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-(6-isopropylpyrimidin-4-yl)-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) 2.80 8.95 -42.76 2 4 1 46 269.372 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-pyrimidin-4-yl-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-pyrimidin-4-yl-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) 1.31 7.1 -42.98 2 4 1 46 227.291 1 ↓

Analogs

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Popular Name: 1-(2-isopropyl-6-methyl-pyrimidin-4-yl)-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-(2-isopropyl-6-methyl-pyrimidi…

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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) 2.89 8.86 -42.67 2 4 1 46 283.399 2 ↓

Analogs

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Popular Name: 1-(2,6-dimethylpyrimidin-4-yl)-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-(2,6-dimethylpyrimidin-4-yl)-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) 1.84 7.65 -43.13 2 4 1 46 255.345 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-methylpyrimidin-4-yl)-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-(2-methylpyrimidin-4-yl)-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) 1.40 7.04 -42.94 2 4 1 46 241.318 1 ↓

Parameters Provided:

ring.id = 280802
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 = 280802 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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