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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-cyclobutyl-N-methyl-pyrrolidin-3-amine (3R)-N-cyclobutyl-N-methyl-pyrro…

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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) 0.91 2.42 -36.4 2 2 1 20 155.265 2 ↓
Hi High (pH 8-9.5) 0.91 0.99 -0.9 1 2 0 15 154.257 2 ↓
Mid Mid (pH 6-8) 0.91 3.18 -30.47 2 2 1 16 155.265 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-cyclobutyl-N-methyl-pyrrolidin-3-amine (3S)-N-cyclobutyl-N-methyl-pyrro…

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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) 0.91 2.11 -36.69 2 2 1 20 155.265 2 ↓
Hi High (pH 8-9.5) 0.91 0.98 -1.32 1 2 0 15 154.257 2 ↓
Mid Mid (pH 6-8) 0.91 3.16 -29.87 2 2 1 16 155.265 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-cyclobutyl-N-ethyl-pyrrolidin-3-amine (3R)-N-cyclobutyl-N-ethyl-pyrrol…

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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) 1.28 3.05 -36.34 2 2 1 20 169.292 3 ↓
Hi High (pH 8-9.5) 1.28 1.59 -0.64 1 2 0 15 168.284 3 ↓
Mid Mid (pH 6-8) 1.28 3.48 -29.26 2 2 1 16 169.292 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-cyclobutyl-N-ethyl-pyrrolidin-3-amine (3S)-N-cyclobutyl-N-ethyl-pyrrol…

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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) 1.28 2.96 -36.46 2 2 1 20 169.292 3 ↓
Hi High (pH 8-9.5) 1.28 1.67 -0.79 1 2 0 15 168.284 3 ↓
Mid Mid (pH 6-8) 1.28 3.59 -28.97 2 2 1 16 169.292 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-cyclobutyl-N-propyl-pyrrolidin-3-amine (3R)-N-cyclobutyl-N-propyl-pyrro…

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) 1.79 3.77 -36.51 2 2 1 20 183.319 4 ↓
Hi High (pH 8-9.5) 1.79 2.33 -0.52 1 2 0 15 182.311 4 ↓
Mid Mid (pH 6-8) 1.79 4.22 -29.65 2 2 1 16 183.319 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-cyclobutyl-N-propyl-pyrrolidin-3-amine (3S)-N-cyclobutyl-N-propyl-pyrro…

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) 1.79 3.69 -36.72 2 2 1 20 183.319 4 ↓
Hi High (pH 8-9.5) 1.79 2.39 -0.74 1 2 0 15 182.311 4 ↓
Mid Mid (pH 6-8) 1.79 4.33 -29.28 2 2 1 16 183.319 4 ↓

Parameters Provided:

ring.id = 262230
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 = 262230 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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