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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: (1R)-1-cyclopropyl-N-methyl-1-pyrimidin-5-yl-methanamine (1R)-1-cyclopropyl-N-methyl-1-py…

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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) 0.44 4.48 -43.35 2 3 1 42 164.232 3 ↓
Mid Mid (pH 6-8) 0.44 3.95 -3.59 1 3 0 38 163.224 3 ↓

Analogs

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Popular Name: (1S)-1-cyclopropyl-N-methyl-1-pyrimidin-5-yl-methanamine (1S)-1-cyclopropyl-N-methyl-1-py…

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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) 0.44 4.49 -43.44 2 3 1 42 164.232 3 ↓
Mid Mid (pH 6-8) 0.44 3.4 -4.11 1 3 0 38 163.224 3 ↓

Analogs

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Popular Name: N-[(R)-cyclopropyl(pyrimidin-5-yl)methyl]ethanamine N-[(R)-cyclopropyl(pyrimidin-5-y…

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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) 0.82 5.33 -41.72 2 3 1 42 178.259 4 ↓
Hi High (pH 8-9.5) 0.82 4.88 -3.37 1 3 0 38 177.251 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-cyclopropyl(pyrimidin-5-yl)methyl]ethanamine N-[(S)-cyclopropyl(pyrimidin-5-y…

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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) 0.82 5.33 -41.79 2 3 1 42 178.259 4 ↓
Hi High (pH 8-9.5) 0.82 4.33 -3.91 1 3 0 38 177.251 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-cyclopropyl(pyrimidin-5-yl)methyl]propan-1-amine N-[(R)-cyclopropyl(pyrimidin-5-y…

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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) 1.32 6.08 -42.54 2 3 1 42 192.286 5 ↓
Hi High (pH 8-9.5) 1.32 4.95 -3.05 1 3 0 38 191.278 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-cyclopropyl(pyrimidin-5-yl)methyl]propan-1-amine N-[(S)-cyclopropyl(pyrimidin-5-y…

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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) 1.32 6.08 -42.59 2 3 1 42 192.286 5 ↓
Hi High (pH 8-9.5) 1.32 5.01 -3.84 1 3 0 38 191.278 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-cyclopropyl-1-pyrimidin-5-yl-ethanol (1S)-1-cyclopropyl-1-pyrimidin-5…

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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) 0.47 2.85 -4.25 1 3 0 46 164.208 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-cyclopropyl-1-pyrimidin-5-yl-ethanol (1R)-1-cyclopropyl-1-pyrimidin-5…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.47 2.48 -4.29 1 3 0 46 164.208 2 ↓

Parameters Provided:

ring.id = 31227
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 = 31227 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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