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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: methyl methyl

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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) 4.69 9.7 -12.29 2 5 0 63 373.503 6 ↓
Mid Mid (pH 6-8) 3.94 8.71 -39 1 5 -1 70 372.495 5 ↓

Analogs

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Popular Name: methyl methyl

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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) 4.69 9.71 -12.39 2 5 0 63 373.503 6 ↓
Mid Mid (pH 6-8) 3.94 8.71 -37.36 1 5 -1 70 372.495 5 ↓

Analogs

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Popular Name: (4S)-N,N-diethyl-6-methyl-4-(2-phenylthiazol-5-yl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (4S)-N,N-diethyl-6-methyl-4-(2-p…

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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) 3.87 9.17 -16.87 2 5 0 57 386.546 5 ↓
Mid Mid (pH 6-8) 3.67 8.23 -42.45 1 5 -1 64 385.538 5 ↓

Analogs

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Popular Name: (4R)-N,N-diethyl-6-methyl-4-(2-phenylthiazol-5-yl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (4R)-N,N-diethyl-6-methyl-4-(2-p…

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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) 3.87 9.39 -16.68 2 5 0 57 386.546 5 ↓
Mid Mid (pH 6-8) 3.67 8.27 -42.9 1 5 -1 64 385.538 5 ↓

Analogs

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Popular Name: (4R)-N,N,6-trimethyl-4-(2-phenylthiazol-5-yl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (4R)-N,N,6-trimethyl-4-(2-phenyl…

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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 7.5 -17.44 2 5 0 57 358.492 3 ↓
Mid Mid (pH 6-8) 2.92 6.96 -41.97 1 5 -1 64 357.484 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N,N,6-trimethyl-4-(2-phenylthiazol-5-yl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (4S)-N,N,6-trimethyl-4-(2-phenyl…

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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 7.4 -17.35 2 5 0 57 358.492 3 ↓
Mid Mid (pH 6-8) 2.92 7.01 -42.04 1 5 -1 64 357.484 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

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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) 4.13 8.92 -12.65 2 5 0 63 359.476 5 ↓
Mid Mid (pH 6-8) 3.38 7.95 -38.92 1 5 -1 70 358.468 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

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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) 4.13 8.93 -12.66 2 5 0 63 359.476 5 ↓
Mid Mid (pH 6-8) 3.38 7.95 -37.21 1 5 -1 70 358.468 4 ↓

Parameters Provided:

ring.id = 451936
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 = 451936 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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