UCSF
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Analogs

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Popular Name: [2-(1,3-benzodioxol-5-yl)-5,6-dimethyl-pyrimidin-4-yl]hydrazine [2-(1,3-benzodioxol-5-yl)-5,6-di…

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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) 2.20 4.33 -10.38 3 6 0 82 258.281 2 ↓

Analogs

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Popular Name: [2-(7-bromo-1,3-benzodioxol-5-yl)-5,6-dimethyl-pyrimidin-4-yl]hydrazine [2-(7-bromo-1,3-benzodioxol-5-yl…

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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) 2.94 4.96 -9.35 3 6 0 82 337.177 2 ↓

Analogs

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Popular Name: [2-(7-chloro-1,3-benzodioxol-5-yl)-5,6-dimethyl-pyrimidin-4-yl]hydrazine [2-(7-chloro-1,3-benzodioxol-5-y…

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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) 2.81 4.86 -9.36 3 6 0 82 292.726 2 ↓

Analogs

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Popular Name: 4-chloro-2-(7-chloro-1,3-benzodioxol-5-yl)-6-isopropyl-pyrimidine 4-chloro-2-(7-chloro-1,3-benzodi…

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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) 4.92 7.24 -5.93 0 4 0 44 311.168 2 ↓

Analogs

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Popular Name: 2-(7-bromo-1,3-benzodioxol-5-yl)-4-chloro-6-isopropyl-pyrimidine 2-(7-bromo-1,3-benzodioxol-5-yl)…

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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) 5.05 7.35 -5.88 0 4 0 44 355.619 2 ↓

Analogs

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Popular Name: 2-(1,3-benzodioxol-5-yl)-4-chloro-6-isopropyl-pyrimidine 2-(1,3-benzodioxol-5-yl)-4-chlor…

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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) 4.32 6.72 -7.02 0 4 0 44 276.723 2 ↓

Analogs

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Popular Name: 4-tert-butyl-6-chloro-2-(7-chloro-1,3-benzodioxol-5-yl)pyrimidine 4-tert-butyl-6-chloro-2-(7-chlor…

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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) 5.59 7.99 -5.78 0 4 0 44 325.195 2 ↓

Analogs

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Popular Name: 2-(7-bromo-1,3-benzodioxol-5-yl)-4-tert-butyl-6-chloro-pyrimidine 2-(7-bromo-1,3-benzodioxol-5-yl)…

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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) 5.72 8.1 -5.79 0 4 0 44 369.646 2 ↓

Analogs

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Popular Name: 2-(1,3-benzodioxol-5-yl)-4-tert-butyl-6-chloro-pyrimidine 2-(1,3-benzodioxol-5-yl)-4-tert-…

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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) 4.98 7.48 -6.88 0 4 0 44 290.75 2 ↓

Analogs

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Popular Name: 4-chloro-2-(7-chloro-1,3-benzodioxol-5-yl)-6-ethyl-pyrimidine 4-chloro-2-(7-chloro-1,3-benzodi…

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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 6.82 -6.39 0 4 0 44 297.141 2 ↓

Analogs

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Popular Name: 2-(7-bromo-1,3-benzodioxol-5-yl)-4-chloro-6-ethyl-pyrimidine 2-(7-bromo-1,3-benzodioxol-5-yl)…

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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) 4.57 6.92 -6.36 0 4 0 44 341.592 2 ↓

Analogs

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Popular Name: 2-(1,3-benzodioxol-5-yl)-4-chloro-6-ethyl-pyrimidine 2-(1,3-benzodioxol-5-yl)-4-chlor…

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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) 3.83 6.3 -7.53 0 4 0 44 262.696 2 ↓

Analogs

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Popular Name: 2-(1,3-benzodioxol-5-yl)-N-isopropyl-pyrimidin-4-amine 2-(1,3-benzodioxol-5-yl)-N-isopr…

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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) 2.67 5.66 -8.09 1 5 0 56 257.293 3 ↓
Mid Mid (pH 6-8) 2.67 6.03 -35.6 2 5 1 58 258.301 3 ↓

Parameters Provided:

ring.id = 17092
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 = 17092 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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