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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: ethyl ethyl

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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) 1.60 6.73 -36.74 2 4 1 52 242.339 9 ↓
Mid Mid (pH 6-8) 1.60 5.31 -4.51 1 4 0 48 241.331 9 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 1.60 6.7 -35.82 2 4 1 52 242.339 9 ↓
Mid Mid (pH 6-8) 1.60 5.18 -5.86 1 4 0 48 241.331 9 ↓

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) 1.23 4.83 -6.68 1 4 0 48 227.304 8 ↓
Mid Mid (pH 6-8) 1.23 5.8 -37.08 2 4 1 52 228.312 8 ↓

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) 1.23 4.9 -4.29 1 4 0 48 227.304 8 ↓
Mid Mid (pH 6-8) 1.23 5.78 -36.16 2 4 1 52 228.312 8 ↓

Analogs

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Popular Name: (2S)-4-(cyclobutoxy)-2-(cyclopropylamino)butanoic (2S)-4-(cyclobutoxy)-2-(cyclopro…

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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) -0.84 5.73 -35.25 2 4 0 66 213.277 7 ↓
Hi High (pH 8-9.5) -0.84 4.78 -44.11 1 4 -1 61 212.269 7 ↓

Analogs

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Popular Name: (2R)-4-(cyclobutoxy)-2-(cyclopropylamino)butanoic (2R)-4-(cyclobutoxy)-2-(cyclopro…

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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) -0.84 5.76 -34.08 2 4 0 66 213.277 7 ↓
Hi High (pH 8-9.5) -0.84 4.77 -48.3 1 4 -1 61 212.269 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-4-(cyclobutoxy)-2-(cyclopropylamino)butanamide (2S)-4-(cyclobutoxy)-2-(cyclopro…

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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) 0.66 1.87 -37.4 4 4 1 69 213.301 7 ↓
Hi High (pH 8-9.5) 0.66 0.95 -6.52 3 4 0 64 212.293 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-(cyclobutoxy)-2-(cyclopropylamino)butanamide (2R)-4-(cyclobutoxy)-2-(cyclopro…

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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) 0.66 1.86 -37.58 4 4 1 69 213.301 7 ↓
Hi High (pH 8-9.5) 0.66 0.87 -9.15 3 4 0 64 212.293 7 ↓

Parameters Provided:

ring.id = 144704
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 = 144704 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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