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

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-(1H-imidazol-5-ylmethyl)-1-methyl-pyrrolidin-3-amine (3S)-N-(1H-imidazol-5-ylmethyl)-…

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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) -0.13 3.68 -80.25 4 4 2 46 182.271 3 ↓
Hi High (pH 8-9.5) -0.13 0.61 -6.48 2 4 0 44 180.255 3 ↓
Mid Mid (pH 6-8) -0.13 3.21 -35.19 3 4 1 45 181.263 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-(1H-imidazol-5-ylmethyl)-1-methyl-pyrrolidin-3-amine (3R)-N-(1H-imidazol-5-ylmethyl)-…

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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) -0.13 3.67 -79.99 4 4 2 46 182.271 3 ↓
Hi High (pH 8-9.5) -0.13 0.64 -6.22 2 4 0 44 180.255 3 ↓
Mid Mid (pH 6-8) -0.13 3.21 -35.27 3 4 1 45 181.263 3 ↓

Analogs

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Popular Name: (3R)-1-methyl-N-[(4-methyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-amine (3R)-1-methyl-N-[(4-methyl-1H-im…

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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) 0.10 4.24 -79.61 4 4 2 46 196.298 3 ↓
Hi High (pH 8-9.5) 0.10 1.14 -6.95 2 4 0 44 194.282 3 ↓
Mid Mid (pH 6-8) 0.10 3.75 -36.69 3 4 1 45 195.29 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-methyl-N-[(4-methyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-amine (3S)-1-methyl-N-[(4-methyl-1H-im…

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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) 0.10 4.22 -79.4 4 4 2 46 196.298 3 ↓
Hi High (pH 8-9.5) 0.10 1.17 -7.98 2 4 0 44 194.282 3 ↓
Mid Mid (pH 6-8) 0.10 3.73 -36.89 3 4 1 45 195.29 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-methyl-N-[(2-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-3-amine (3R)-1-methyl-N-[(2-methyl-1H-im…

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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) -0.04 3.42 -77.32 4 4 2 46 196.298 3 ↓
Hi High (pH 8-9.5) -0.04 0.48 -7.15 2 4 0 44 194.282 3 ↓
Mid Mid (pH 6-8) -0.04 3 -37.67 3 4 1 45 195.29 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-methyl-N-[(2-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-3-amine (3S)-1-methyl-N-[(2-methyl-1H-im…

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) -0.04 3.46 -76.91 4 4 2 46 196.298 3 ↓
Hi High (pH 8-9.5) -0.04 0.43 -7.58 2 4 0 44 194.282 3 ↓
Mid Mid (pH 6-8) -0.04 3.04 -36.26 3 4 1 45 195.29 3 ↓

Parameters Provided:

ring.id = 152846
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 = 152846 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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