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

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4S)-N-[(1-isopropylpyrazol-3-yl)methyl]-1,3,3-trimethyl-norbornan-2-amine (1R,2S,4S)-N-[(1-isopropylpyrazo…

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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) 3.59 8.82 -31.95 2 3 1 34 276.448 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,4S)-N-[(1-isopropylpyrazol-3-yl)methyl]-1,3,3-trimethyl-norbornan-2-amine (1R,2R,4S)-N-[(1-isopropylpyrazo…

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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) 3.59 8.97 -31.46 2 3 1 34 276.448 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,3R,4R)-3-[(1-isopropylpyrazol-3-yl)methylamino]norbornane-2-carboxylic (1S,2S,3R,4R)-3-[(1-isopropylpyr…

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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) 1.80 8.17 -34.24 2 5 0 75 277.368 5 ↓
Hi High (pH 8-9.5) 1.80 6.98 -46.23 1 5 -1 70 276.36 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,3S,4R)-3-[(1-isopropylpyrazol-3-yl)methylamino]norbornane-2-carboxylic (1S,2S,3S,4R)-3-[(1-isopropylpyr…

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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) 1.80 7.58 -47.3 2 5 0 75 277.368 5 ↓
Hi High (pH 8-9.5) 1.80 6.49 -57.76 1 5 -1 70 276.36 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,3R,4R)-3-[[1-[(1R)-1-methylpropyl]pyrazol-3-yl]methylamino]norbornane-2-carboxylic (1S,2S,3R,4R)-3-[[1-[(1R)-1-meth…

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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) 2.31 8.8 -34.17 2 5 0 75 291.395 6 ↓
Hi High (pH 8-9.5) 2.31 7.62 -46.1 1 5 -1 70 290.387 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,3R,4R)-3-[[1-[(1S)-1-methylpropyl]pyrazol-3-yl]methylamino]norbornane-2-carboxylic (1S,2S,3R,4R)-3-[[1-[(1S)-1-meth…

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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) 2.31 8.78 -33.85 2 5 0 75 291.395 6 ↓
Hi High (pH 8-9.5) 2.31 7.6 -45.9 1 5 -1 70 290.387 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,3S,4R)-3-[[1-[(1R)-1-methylpropyl]pyrazol-3-yl]methylamino]norbornane-2-carboxylic (1S,2S,3S,4R)-3-[[1-[(1R)-1-meth…

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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) 2.31 8.21 -47.14 2 5 0 75 291.395 6 ↓
Hi High (pH 8-9.5) 2.31 7.12 -57.73 1 5 -1 70 290.387 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,3S,4R)-3-[[1-[(1S)-1-methylpropyl]pyrazol-3-yl]methylamino]norbornane-2-carboxylic (1S,2S,3S,4R)-3-[[1-[(1S)-1-meth…

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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) 2.31 8.19 -47.5 2 5 0 75 291.395 6 ↓
Hi High (pH 8-9.5) 2.31 7.1 -57.89 1 5 -1 70 290.387 6 ↓

Parameters Provided:

ring.id = 512927
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 = 512927 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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