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

Analogs

11997679
11997679
55099124
55099124
55099127
55099127

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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) 2.82 -1.1 -32.68 2 7 1 78 393.895 8 ↓

Analogs

55099124
55099124
55099127
55099127
11997676
11997676

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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) 2.82 -1.11 -31.8 2 7 1 78 393.895 8 ↓

Analogs

12218472
12218472

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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) 2.62 0.87 -40.28 2 8 1 95 429.541 12 ↓

Analogs

12218471
12218471

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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) 2.62 0.75 -39.97 2 8 1 95 429.541 12 ↓

Analogs

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Popular Name: 2-[(4-amino-1-piperidyl)methyl]quinazolin-4-amine 2-[(4-amino-1-piperidyl)methyl]q…

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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) 0.32 1.69 -47.65 5 5 1 83 258.349 2 ↓
Mid Mid (pH 6-8) 0.32 2.01 -81.96 6 5 2 84 259.357 2 ↓
Mid Mid (pH 6-8) 0.32 3.6 -32.19 5 5 1 82 258.349 2 ↓

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) 2.64 5.87 -49.86 1 6 0 80 335.791 4 ↓

Analogs

11997676
11997676
11997679
11997679

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) 2.82 6.88 -11.59 1 7 0 77 392.887 8 ↓
Mid Mid (pH 6-8) 2.82 7.38 -24.22 2 7 1 78 393.895 8 ↓

Analogs

11997676
11997676
11997679
11997679

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) 2.82 6.89 -10.2 1 7 0 77 392.887 8 ↓
Mid Mid (pH 6-8) 2.82 7.19 -29.56 2 7 1 78 393.895 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[1-[(4-aminoquinazolin-2-yl)methyl]-4-piperidyl]-N-methyl-acetamide N-[1-[(4-aminoquinazolin-2-yl)me…

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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) 0.83 6.83 -39.96 3 6 1 77 314.413 3 ↓
Mid Mid (pH 6-8) 0.83 4.63 -15.01 2 6 0 75 313.405 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-(2-aminoethyl)-1-piperidyl]methyl]quinazolin-4-amine 2-[[4-(2-aminoethyl)-1-piperidyl…

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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) 1.08 5.3 -92.2 6 5 2 84 287.411 4 ↓
Hi High (pH 8-9.5) 1.08 3.08 -49.91 5 5 1 83 286.403 4 ↓

Parameters Provided:

ring.id = 27849
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 = 27849 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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