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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: (4S)-2-(1,3-benzoxazol-2-ylamino)-4-(2-chlorophenyl)-6-methyl-N-(p-tolyl)-1,4-dihydropyrimidine-5-ca (4S)-2-(1,3-benzoxazol-2-ylamino…

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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) 5.67 11.63 -18.41 3 7 0 92 471.948 5 ↓

Analogs

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Popular Name: (4R)-2-(1,3-benzoxazol-2-ylamino)-4-(2-chlorophenyl)-6-methyl-N-(p-tolyl)-1,4-dihydropyrimidine-5-ca (4R)-2-(1,3-benzoxazol-2-ylamino…

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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) 5.67 11.25 -19.75 3 7 0 92 471.948 5 ↓

Analogs

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Popular Name: (4R)-2-(1,3-benzoxazol-2-ylamino)-N-(4-ethylphenyl)-4-(2-methoxyphenyl)-6-methyl-1,4-dihydropyrimidi (4R)-2-(1,3-benzoxazol-2-ylamino…

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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) 5.52 11.78 -20.32 3 8 0 101 481.556 7 ↓

Analogs

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Popular Name: (4S)-2-(1,3-benzoxazol-2-ylamino)-N-(4-ethylphenyl)-4-(2-methoxyphenyl)-6-methyl-1,4-dihydropyrimidi (4S)-2-(1,3-benzoxazol-2-ylamino…

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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) 5.52 11.22 -20.43 3 8 0 101 481.556 7 ↓

Analogs

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Popular Name: (4R)-2-(1,3-benzoxazol-2-ylamino)-N-(4-ethylphenyl)-4-(4-methoxyphenyl)-6-methyl-1,4-dihydropyrimidi (4R)-2-(1,3-benzoxazol-2-ylamino…

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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) 5.57 11.22 -20.52 3 8 0 101 481.556 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-2-(1,3-benzoxazol-2-ylamino)-N-(4-ethylphenyl)-4-(4-methoxyphenyl)-6-methyl-1,4-dihydropyrimidi (4S)-2-(1,3-benzoxazol-2-ylamino…

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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) 5.57 11.19 -20.3 3 8 0 101 481.556 7 ↓

Analogs

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Popular Name: (4R)-2-(1,3-benzoxazol-2-ylamino)-N,4-bis(4-methoxyphenyl)-6-methyl-1,4-dihydropyrimidine-5-carboxam (4R)-2-(1,3-benzoxazol-2-ylamino…

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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) 4.71 8.65 -20.28 3 9 0 110 483.528 7 ↓

Analogs

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Popular Name: (4S)-2-(1,3-benzoxazol-2-ylamino)-N,4-bis(4-methoxyphenyl)-6-methyl-1,4-dihydropyrimidine-5-carboxam (4S)-2-(1,3-benzoxazol-2-ylamino…

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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) 4.71 8.62 -19.85 3 9 0 110 483.528 7 ↓

Analogs

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Popular Name: (4R)-2-(1,3-benzoxazol-2-ylamino)-4-(4-chlorophenyl)-N-(4-methoxyphenyl)-6-methyl-1,4-dihydropyrimid (4R)-2-(1,3-benzoxazol-2-ylamino…

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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) 5.33 10.32 -15.93 3 8 0 101 487.947 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-2-(1,3-benzoxazol-2-ylamino)-4-(4-chlorophenyl)-N-(4-methoxyphenyl)-6-methyl-1,4-dihydropyrimid (4S)-2-(1,3-benzoxazol-2-ylamino…

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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) 5.33 10.54 -18.11 3 8 0 101 487.947 6 ↓

Parameters Provided:

ring.id = 111636
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 = 111636 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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