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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-(2-pyrrolidin-1-ylethyl)ethanamine (1R)-1-cyclopropyl-N-(2-pyrrolid…

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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) 1.73 4.27 -35.29 2 2 1 20 183.319 5 ↓
Mid Mid (pH 6-8) 1.73 6.81 -108.97 3 2 2 21 184.327 5 ↓

Analogs

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Popular Name: (1S)-1-cyclopropyl-N-(2-pyrrolidin-1-ylethyl)ethanamine (1S)-1-cyclopropyl-N-(2-pyrrolid…

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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) 1.73 4.08 -35.44 2 2 1 20 183.319 5 ↓
Mid Mid (pH 6-8) 1.73 6.61 -109.18 3 2 2 21 184.327 5 ↓

Analogs

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Popular Name: N-[(1S)-1-cyclopropylethyl]-2-[(2R)-2-ethylpyrrolidin-1-yl]ethanamine N-[(1S)-1-cyclopropylethyl]-2-[(…

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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) 2.60 7.98 -108.22 3 2 2 21 212.381 6 ↓
Hi High (pH 8-9.5) 2.60 6.8 -29.53 2 2 1 16 211.373 6 ↓
Mid Mid (pH 6-8) 2.60 6.07 -35.72 2 2 1 20 211.373 6 ↓

Analogs

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Popular Name: N-[(1S)-1-cyclopropylethyl]-2-[(2S)-2-ethylpyrrolidin-1-yl]ethanamine N-[(1S)-1-cyclopropylethyl]-2-[(…

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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) 2.60 8 -108.98 3 2 2 21 212.381 6 ↓
Hi High (pH 8-9.5) 2.60 6.83 -29.55 2 2 1 16 211.373 6 ↓
Mid Mid (pH 6-8) 2.60 6.07 -35.28 2 2 1 20 211.373 6 ↓

Analogs

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Popular Name: N-[(1S)-1-cyclopropylethyl]-2-[(2R)-2-methylpyrrolidin-1-yl]ethanamine N-[(1S)-1-cyclopropylethyl]-2-[(…

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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) 2.06 7.21 -107.97 3 2 2 21 198.354 5 ↓
Hi High (pH 8-9.5) 2.06 6.05 -29.85 2 2 1 16 197.346 5 ↓
Mid Mid (pH 6-8) 2.06 4.98 -34.95 2 2 1 20 197.346 5 ↓

Analogs

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Popular Name: N-[(1S)-1-cyclopropylethyl]-2-[(2S)-2-methylpyrrolidin-1-yl]ethanamine N-[(1S)-1-cyclopropylethyl]-2-[(…

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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) 2.06 6.86 -107.99 3 2 2 21 198.354 5 ↓
Hi High (pH 8-9.5) 2.06 5.68 -30.24 2 2 1 16 197.346 5 ↓
Mid Mid (pH 6-8) 2.06 4.57 -35.1 2 2 1 20 197.346 5 ↓

Analogs

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Popular Name: N-[(1S)-1-cyclopropylethyl]-2-[(3R)-3-methylpyrrolidin-1-yl]ethanamine N-[(1S)-1-cyclopropylethyl]-2-[(…

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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) 2.21 7.13 -110.39 3 2 2 21 198.354 5 ↓
Hi High (pH 8-9.5) 2.21 5.97 -31.88 2 2 1 16 197.346 5 ↓
Mid Mid (pH 6-8) 2.21 4.78 -34.97 2 2 1 20 197.346 5 ↓

Analogs

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Popular Name: N-[(1S)-1-cyclopropylethyl]-2-[(3S)-3-methylpyrrolidin-1-yl]ethanamine N-[(1S)-1-cyclopropylethyl]-2-[(…

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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) 2.21 7.21 -110.42 3 2 2 21 198.354 5 ↓
Hi High (pH 8-9.5) 2.21 6.03 -31.74 2 2 1 16 197.346 5 ↓
Mid Mid (pH 6-8) 2.21 4.73 -34.85 2 2 1 20 197.346 5 ↓

Analogs

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Popular Name: (3S)-1-[2-[[(1S)-1-cyclopropylethyl]amino]ethyl]-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-[2-[[(1S)-1-cyclopropylet…

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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) 1.48 5.18 -85.76 3 3 2 24 227.396 6 ↓
Hi High (pH 8-9.5) 1.48 2.77 -35.91 2 3 1 23 226.388 6 ↓

Analogs

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Popular Name: (3S)-1-[2-[[(1R)-1-cyclopropylethyl]amino]ethyl]-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-[2-[[(1R)-1-cyclopropylet…

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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) 1.48 5.27 -85.48 3 3 2 24 227.396 6 ↓
Hi High (pH 8-9.5) 1.48 2.87 -35.57 2 3 1 23 226.388 6 ↓

Analogs

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Popular Name: (3R)-1-[2-(cyclopropylmethylamino)ethyl]-N,N-dimethyl-pyrrolidin-3-amine (3R)-1-[2-(cyclopropylmethylamin…

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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) 0.80 4.91 -85.78 3 3 2 24 213.369 6 ↓
Hi High (pH 8-9.5) 0.80 2.5 -37.94 2 3 1 23 212.361 6 ↓

Analogs

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Popular Name: (3S)-1-[2-(cyclopropylmethylamino)ethyl]-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-[2-(cyclopropylmethylamin…

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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) 0.80 4.93 -86.58 3 3 2 24 213.369 6 ↓
Hi High (pH 8-9.5) 0.80 2.55 -37.7 2 3 1 23 212.361 6 ↓

Analogs

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Popular Name: (3R)-1-[2-[[(1S)-1-cyclopropylethyl]amino]ethyl]-N,N-diethyl-pyrrolidin-3-amine (3R)-1-[2-[[(1S)-1-cyclopropylet…

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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) 2.23 6.24 -83.82 3 3 2 24 255.45 8 ↓
Hi High (pH 8-9.5) 2.23 4.13 -35.88 2 3 1 23 254.442 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[2-[[(1S)-1-cyclopropylethyl]amino]ethyl]-N,N-diethyl-pyrrolidin-3-amine (3S)-1-[2-[[(1S)-1-cyclopropylet…

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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) 2.23 6.27 -84.37 3 3 2 24 255.45 8 ↓
Hi High (pH 8-9.5) 2.23 4.24 -35.68 2 3 1 23 254.442 8 ↓

Analogs

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Popular Name: (3R)-1-[2-(cyclopropylmethylamino)ethyl]-N,N-diethyl-pyrrolidin-3-amine (3R)-1-[2-(cyclopropylmethylamin…

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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) 1.55 5.94 -85 3 3 2 24 241.423 8 ↓
Hi High (pH 8-9.5) 1.55 3.83 -37.55 2 3 1 23 240.415 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[2-(cyclopropylmethylamino)ethyl]-N,N-diethyl-pyrrolidin-3-amine (3S)-1-[2-(cyclopropylmethylamin…

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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) 1.55 5.92 -85.83 3 3 2 24 241.423 8 ↓
Hi High (pH 8-9.5) 1.55 3.8 -37.2 2 3 1 23 240.415 8 ↓

Parameters Provided:

ring.id = 24740
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 = 24740 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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