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

37988336
37988336

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Popular Name: 1-(5-bromo-3-thienyl)-N-(cyclobutylmethyl)methanamine 1-(5-bromo-3-thienyl)-N-(cyclobu…

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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) 3.06 6.97 -42.84 2 1 1 17 261.208 4 ↓

Analogs

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Popular Name: (1R)-N-(cyclobutylmethyl)-N-methyl-1-(3-thienyl)ethane-1,2-diamine (1R)-N-(cyclobutylmethyl)-N-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) 1.36 4.14 -46.46 3 2 1 31 225.381 5 ↓
Hi High (pH 8-9.5) 1.36 4.08 -1.64 2 2 0 29 224.373 5 ↓
Mid Mid (pH 6-8) 1.36 5.65 -34.21 3 2 1 30 225.381 5 ↓

Analogs

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Popular Name: (1S)-N-(cyclobutylmethyl)-N-methyl-1-(3-thienyl)ethane-1,2-diamine (1S)-N-(cyclobutylmethyl)-N-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) 1.36 4.01 -46.66 3 2 1 31 225.381 5 ↓
Hi High (pH 8-9.5) 1.36 3.67 -1.78 2 2 0 29 224.373 5 ↓
Mid Mid (pH 6-8) 1.36 5.9 -116.86 4 2 2 32 226.389 5 ↓

Analogs

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Popular Name: (1R,2S)-N1-(cyclobutylmethyl)-N1-methyl-1-(3-thienyl)butane-1,2-diamine (1R,2S)-N1-(cyclobutylmethyl)-N1…

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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) 2.30 5.29 -38.8 3 2 1 31 253.435 6 ↓
Mid Mid (pH 6-8) 2.30 7.66 -119.62 4 2 2 32 254.443 6 ↓
Mid Mid (pH 6-8) 2.30 7.32 -34.28 3 2 1 30 253.435 6 ↓

Analogs

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Popular Name: (1R,2R)-N1-(cyclobutylmethyl)-N1-methyl-1-(3-thienyl)butane-1,2-diamine (1R,2R)-N1-(cyclobutylmethyl)-N1…

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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) 2.30 5.29 -41.1 3 2 1 31 253.435 6 ↓
Mid Mid (pH 6-8) 2.30 7.35 -114.18 4 2 2 32 254.443 6 ↓
Mid Mid (pH 6-8) 2.30 7.46 -30.83 3 2 1 30 253.435 6 ↓

Analogs

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Popular Name: (1S,2S)-N1-(cyclobutylmethyl)-N1-methyl-1-(3-thienyl)butane-1,2-diamine (1S,2S)-N1-(cyclobutylmethyl)-N1…

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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) 2.30 5.17 -41.33 3 2 1 31 253.435 6 ↓
Mid Mid (pH 6-8) 2.30 7.46 -113.69 4 2 2 32 254.443 6 ↓
Mid Mid (pH 6-8) 2.30 7.18 -33.46 3 2 1 30 253.435 6 ↓

Analogs

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Popular Name: (1S,2R)-N1-(cyclobutylmethyl)-N1-methyl-1-(3-thienyl)butane-1,2-diamine (1S,2R)-N1-(cyclobutylmethyl)-N1…

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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) 2.30 5.22 -39.03 3 2 1 31 253.435 6 ↓
Mid Mid (pH 6-8) 2.30 7.33 -30.58 3 2 1 30 253.435 6 ↓
Mid Mid (pH 6-8) 2.30 7.76 -119.01 4 2 2 32 254.443 6 ↓

Analogs

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Popular Name: (1R,2S)-N1-(cyclobutylmethyl)-N1-methyl-1-(3-thienyl)propane-1,2-diamine (1R,2S)-N1-(cyclobutylmethyl)-N1…

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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) 1.76 5.06 -38.36 3 2 1 31 239.408 5 ↓
Hi High (pH 8-9.5) 1.76 4.35 -0.86 2 2 0 29 238.4 5 ↓
Mid Mid (pH 6-8) 1.76 6.52 -33.85 3 2 1 30 239.408 5 ↓

Analogs

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Popular Name: (1R,2R)-N1-(cyclobutylmethyl)-N1-methyl-1-(3-thienyl)propane-1,2-diamine (1R,2R)-N1-(cyclobutylmethyl)-N1…

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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) 1.76 5.03 -39.88 3 2 1 31 239.408 5 ↓
Hi High (pH 8-9.5) 1.76 4.59 -0.88 2 2 0 29 238.4 5 ↓
Mid Mid (pH 6-8) 1.76 6.54 -113.76 4 2 2 32 240.416 5 ↓

Analogs

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Popular Name: (1S,2S)-N1-(cyclobutylmethyl)-N1-methyl-1-(3-thienyl)propane-1,2-diamine (1S,2S)-N1-(cyclobutylmethyl)-N1…

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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) 1.76 5.15 -40.11 3 2 1 31 239.408 5 ↓
Hi High (pH 8-9.5) 1.76 4.7 -0.85 2 2 0 29 238.4 5 ↓
Mid Mid (pH 6-8) 1.76 6.34 -33.16 3 2 1 30 239.408 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N1-(cyclobutylmethyl)-N1-methyl-1-(3-thienyl)propane-1,2-diamine (1S,2R)-N1-(cyclobutylmethyl)-N1…

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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) 1.76 5.1 -38.39 3 2 1 31 239.408 5 ↓
Hi High (pH 8-9.5) 1.76 4.68 -0.67 2 2 0 29 238.4 5 ↓
Mid Mid (pH 6-8) 1.76 6.95 -118.53 4 2 2 32 240.416 5 ↓

Analogs

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Popular Name: (1S)-N-(cyclobutylmethyl)-1-(2,5-dimethyl-3-thienyl)-N-methyl-ethane-1,2-diamine (1S)-N-(cyclobutylmethyl)-1-(2,5…

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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) 1.80 6.3 -40.89 3 2 1 31 253.435 5 ↓
Hi High (pH 8-9.5) 1.80 5.63 -1.57 2 2 0 29 252.427 5 ↓
Mid Mid (pH 6-8) 1.80 7.88 -121.9 4 2 2 32 254.443 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-(cyclobutylmethyl)-1-(2,5-dimethyl-3-thienyl)-N-methyl-ethane-1,2-diamine (1R)-N-(cyclobutylmethyl)-1-(2,5…

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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) 1.80 6.32 -40.62 3 2 1 31 253.435 5 ↓
Hi High (pH 8-9.5) 1.80 5.4 -2.54 2 2 0 29 252.427 5 ↓
Mid Mid (pH 6-8) 1.80 7.74 -122.14 4 2 2 32 254.443 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-(cyclobutylmethyl)-1-(2,5-dimethyl-3-thienyl)ethanamine (1R)-N-(cyclobutylmethyl)-1-(2,5…

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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) 3.13 8.48 -37.6 2 1 1 17 224.393 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-(cyclobutylmethyl)-1-(2,5-dimethyl-3-thienyl)ethanamine (1S)-N-(cyclobutylmethyl)-1-(2,5…

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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) 3.13 8.53 -37.87 2 1 1 17 224.393 4 ↓

Analogs

37985049
37985049

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Popular Name: N-(cyclobutylmethyl)-1-(3-thienyl)methanamine N-(cyclobutylmethyl)-1-(3-thieny…

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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) 2.13 6.24 -39.23 2 1 1 17 182.312 4 ↓

Parameters Provided:

ring.id = 116575
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 = 116575 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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