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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: (1S)-1-(2-furyl)-N,N-dimethyl-N'-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]ethane-1,2-diamine (1S)-1-(2-furyl)-N,N-dimethyl-N'…

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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 6.89 -39.44 2 3 1 33 291.44 5 ↓
Mid Mid (pH 6-8) 2.06 7.93 -34.2 2 3 1 30 291.44 5 ↓
Lo Low (pH 4.5-6) 2.06 8.93 -115.47 3 3 2 34 292.448 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(2-furyl)-N,N-dimethyl-N'-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]ethane-1,2-diamine (1R)-1-(2-furyl)-N,N-dimethyl-N'…

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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 -38.69 2 3 1 33 291.44 5 ↓
Mid Mid (pH 6-8) 2.06 7.78 -37.71 2 3 1 30 291.44 5 ↓
Lo Low (pH 4.5-6) 2.06 8.93 -117.4 3 3 2 34 292.448 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(2-furyl)-N,N-dimethyl-N'-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]ethane-1,2-diamine (1S)-1-(2-furyl)-N,N-dimethyl-N'…

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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 6.94 -38.73 2 3 1 33 291.44 5 ↓
Mid Mid (pH 6-8) 2.06 8 -35.08 2 3 1 30 291.44 5 ↓
Lo Low (pH 4.5-6) 2.06 8.94 -117.68 3 3 2 34 292.448 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(2-furyl)-N,N-dimethyl-N'-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]ethane-1,2-diamine (1R)-1-(2-furyl)-N,N-dimethyl-N'…

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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 6.97 -39.4 2 3 1 33 291.44 5 ↓
Mid Mid (pH 6-8) 2.06 7.71 -39.16 2 3 1 30 291.44 5 ↓
Lo Low (pH 4.5-6) 2.06 8.91 -115.19 3 3 2 34 292.448 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-[2-(2-furyl)ethyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-[2-(2-furyl)ethyl]-4,5,6,…

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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) 2.25 6.65 -4.54 1 2 0 25 247.363 4 ↓
Mid Mid (pH 6-8) 2.25 7.83 -42.75 2 2 1 30 248.371 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-[2-(2-furyl)ethyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-[2-(2-furyl)ethyl]-4,5,6,…

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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) 2.25 6.77 -4.21 1 2 0 25 247.363 4 ↓
Mid Mid (pH 6-8) 2.25 7.83 -42.91 2 2 1 30 248.371 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-[(1S)-2-(2-furyl)-1-methyl-ethyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-[(1S)-2-(2-furyl)-1-methy…

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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) 2.58 7.8 -34.69 2 2 1 30 262.398 4 ↓
Hi High (pH 8-9.5) 2.58 7.28 -3.81 1 2 0 25 261.39 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-[(1R)-2-(2-furyl)-1-methyl-ethyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-[(1R)-2-(2-furyl)-1-methy…

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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) 2.58 8.39 -36.59 2 2 1 30 262.398 4 ↓
Hi High (pH 8-9.5) 2.58 7.46 -4.44 1 2 0 25 261.39 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-[(1S)-2-(2-furyl)-1-methyl-ethyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-[(1S)-2-(2-furyl)-1-methy…

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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) 2.58 8.43 -35.35 2 2 1 30 262.398 4 ↓
Hi High (pH 8-9.5) 2.58 7.49 -4.01 1 2 0 25 261.39 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-[(1R)-2-(2-furyl)-1-methyl-ethyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-[(1R)-2-(2-furyl)-1-methy…

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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) 2.58 7.81 -36.72 2 2 1 30 262.398 4 ↓
Hi High (pH 8-9.5) 2.58 7.35 -4.57 1 2 0 25 261.39 4 ↓

Parameters Provided:

ring.id = 210546
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 210546 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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