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

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) 2.15 4.2 -8.8 1 6 0 66 293.319 8 ↓
Mid Mid (pH 6-8) 2.15 5.69 -47.29 2 6 1 71 294.327 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) 2.15 4.07 -10.92 1 6 0 66 293.319 8 ↓
Mid Mid (pH 6-8) 2.15 5.61 -44.39 2 6 1 71 294.327 8 ↓

Analogs

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Popular Name: (2S)-4-(1,3-benzodioxol-5-yloxy)-2-(cyclopropylamino)butanoic (2S)-4-(1,3-benzodioxol-5-yloxy)…

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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) 0.08 5.56 -41.12 2 6 0 84 279.292 7 ↓
Hi High (pH 8-9.5) 0.08 4.64 -44.91 1 6 -1 80 278.284 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-(1,3-benzodioxol-5-yloxy)-2-(cyclopropylamino)butanoic (2R)-4-(1,3-benzodioxol-5-yloxy)…

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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) 0.08 5.63 -41.65 2 6 0 84 279.292 7 ↓
Hi High (pH 8-9.5) 0.08 4.56 -50.27 1 6 -1 80 278.284 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-4-(1,3-benzodioxol-5-yloxy)-2-(cyclopropylamino)butanamide (2S)-4-(1,3-benzodioxol-5-yloxy)…

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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) 1.59 1.7 -47.96 4 6 1 87 279.316 7 ↓
Hi High (pH 8-9.5) 1.59 0.77 -10.95 3 6 0 83 278.308 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-(1,3-benzodioxol-5-yloxy)-2-(cyclopropylamino)butanamide (2R)-4-(1,3-benzodioxol-5-yloxy)…

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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) 1.59 1.7 -48.05 4 6 1 87 279.316 7 ↓
Hi High (pH 8-9.5) 1.59 0.69 -13.82 3 6 0 83 278.308 7 ↓

Parameters Provided:

ring.id = 127514
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 = 127514 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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