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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: (3S)-1-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyrrolidin-3-amine (3S)-1-[(4R)-4,5,6,7-tetrahydrob…

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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) 1.33 5.04 -31.48 3 2 1 30 223.365 1 ↓
Mid Mid (pH 6-8) 1.33 2.99 -46.29 3 2 1 31 223.365 1 ↓
Lo Low (pH 4.5-6) 1.33 5.33 -117.63 4 2 2 32 224.373 1 ↓

Analogs

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Popular Name: (3S)-1-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyrrolidin-3-amine (3S)-1-[(4S)-4,5,6,7-tetrahydrob…

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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) 1.33 5.08 -30.88 3 2 1 30 223.365 1 ↓
Mid Mid (pH 6-8) 1.33 3.08 -44.63 3 2 1 31 223.365 1 ↓
Lo Low (pH 4.5-6) 1.33 5.37 -118.23 4 2 2 32 224.373 1 ↓

Analogs

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Popular Name: [(3R)-1-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyrrolidin-3-yl]methanamine [(3R)-1-[(4R)-4,5,6,7-tetrahydro…

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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) 1.64 3.69 -46.31 3 2 1 31 237.392 2 ↓
Mid Mid (pH 6-8) 1.64 6.02 -107.55 4 2 2 32 238.4 2 ↓

Analogs

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Popular Name: [(3R)-1-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyrrolidin-3-yl]methanamine [(3R)-1-[(4S)-4,5,6,7-tetrahydro…

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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) 1.64 3.73 -45.05 3 2 1 31 237.392 2 ↓
Mid Mid (pH 6-8) 1.64 6.02 -107.95 4 2 2 32 238.4 2 ↓

Analogs

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Popular Name: (3R)-N-methyl-1-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyrrolidin-3-amine (3R)-N-methyl-1-[(4R)-4,5,6,7-te…

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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) 2.24 4.87 -38.27 2 2 1 20 237.392 2 ↓
Hi High (pH 8-9.5) 2.24 3.57 -2.1 1 2 0 15 236.384 2 ↓
Lo Low (pH 4.5-6) 2.24 7.07 -107.38 3 2 2 21 238.4 2 ↓

Analogs

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Popular Name: (3S)-N-methyl-1-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyrrolidin-3-amine (3S)-N-methyl-1-[(4R)-4,5,6,7-te…

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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) 2.24 4.8 -40.79 2 2 1 20 237.392 2 ↓
Hi High (pH 8-9.5) 2.24 3.53 -2.11 1 2 0 15 236.384 2 ↓
Lo Low (pH 4.5-6) 2.24 7.1 -112.42 3 2 2 21 238.4 2 ↓

Analogs

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Popular Name: (3R)-N-ethyl-1-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyrrolidin-3-amine (3R)-N-ethyl-1-[(4R)-4,5,6,7-tet…

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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) 2.61 5.7 -37.02 2 2 1 20 251.419 3 ↓
Hi High (pH 8-9.5) 2.61 4.49 -1.86 1 2 0 15 250.411 3 ↓
Lo Low (pH 4.5-6) 2.61 7.9 -108.08 3 2 2 21 252.427 3 ↓

Analogs

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Popular Name: (3S)-N-ethyl-1-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyrrolidin-3-amine (3S)-N-ethyl-1-[(4R)-4,5,6,7-tet…

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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) 2.61 5.75 -36.84 2 2 1 20 251.419 3 ↓
Hi High (pH 8-9.5) 2.61 4.56 -2.31 1 2 0 15 250.411 3 ↓
Lo Low (pH 4.5-6) 2.61 7.95 -108.55 3 2 2 21 252.427 3 ↓

Analogs

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Popular Name: (3R)-N-propyl-1-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyrrolidin-3-amine (3R)-N-propyl-1-[(4R)-4,5,6,7-te…

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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) 3.12 6.5 -39.38 2 2 1 20 265.446 4 ↓
Hi High (pH 8-9.5) 3.12 5.27 -2.35 1 2 0 15 264.438 4 ↓
Lo Low (pH 4.5-6) 3.12 8.76 -116.11 3 2 2 21 266.454 4 ↓

Analogs

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Popular Name: (3S)-N-propyl-1-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyrrolidin-3-amine (3S)-N-propyl-1-[(4R)-4,5,6,7-te…

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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) 3.12 6.4 -40.45 2 2 1 20 265.446 4 ↓
Hi High (pH 8-9.5) 3.12 5.22 -1.85 1 2 0 15 264.438 4 ↓
Lo Low (pH 4.5-6) 3.12 8.7 -115.2 3 2 2 21 266.454 4 ↓

Analogs

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Popular Name: 2-methyl-N-[[(3S)-1-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyrrolidin-3-yl]methyl]propan-2-amine 2-methyl-N-[[(3S)-1-[(4R)-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) 3.81 7.4 -36.87 2 2 1 20 293.5 4 ↓
Mid Mid (pH 6-8) 3.81 9.67 -103.67 3 2 2 21 294.508 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[(3R)-1-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyrrolidin-3-yl]methyl]propan-2-amine 2-methyl-N-[[(3R)-1-[(4R)-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) 3.81 7.38 -37.65 2 2 1 20 293.5 4 ↓
Mid Mid (pH 6-8) 3.81 9.69 -103.03 3 2 2 21 294.508 4 ↓

Analogs

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Popular Name: 2-methyl-N-[[(3S)-1-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyrrolidin-3-yl]methyl]propan-1-amine 2-methyl-N-[[(3S)-1-[(4R)-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) 3.39 7.91 -40.34 2 2 1 20 293.5 5 ↓
Mid Mid (pH 6-8) 3.39 10.17 -107.79 3 2 2 21 294.508 5 ↓

Analogs

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Popular Name: 2-methyl-N-[[(3R)-1-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyrrolidin-3-yl]methyl]propan-1-amine 2-methyl-N-[[(3R)-1-[(4R)-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) 3.39 7.89 -41.33 2 2 1 20 293.5 5 ↓
Mid Mid (pH 6-8) 3.39 10.19 -107.02 3 2 2 21 294.508 5 ↓

Analogs

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Popular Name: N-methyl-1-[(3S)-1-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyrrolidin-3-yl]methanamine N-methyl-1-[(3S)-1-[(4R)-4,5,6,7…

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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) 2.62 5.61 -40.18 2 2 1 20 251.419 3 ↓
Mid Mid (pH 6-8) 2.62 7.87 -103.85 3 2 2 21 252.427 3 ↓

Analogs

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Popular Name: N-methyl-1-[(3R)-1-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyrrolidin-3-yl]methanamine N-methyl-1-[(3R)-1-[(4R)-4,5,6,7…

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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) 2.62 5.59 -41.07 2 2 1 20 251.419 3 ↓
Mid Mid (pH 6-8) 2.62 7.88 -103.26 3 2 2 21 252.427 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-1-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyrrolidin-3-yl]methyl]ethanamine N-[[(3S)-1-[(4R)-4,5,6,7-tetrahy…

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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) 2.65 6.47 -39.36 2 2 1 20 265.446 4 ↓
Mid Mid (pH 6-8) 2.65 8.73 -104.61 3 2 2 21 266.454 4 ↓

Analogs

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Popular Name: N-[[(3R)-1-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyrrolidin-3-yl]methyl]ethanamine N-[[(3R)-1-[(4R)-4,5,6,7-tetrahy…

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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) 2.65 6.44 -40.29 2 2 1 20 265.446 4 ↓
Mid Mid (pH 6-8) 2.65 8.73 -104 3 2 2 21 266.454 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-1-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyrrolidin-3-yl]methyl]propan-1-amine N-[[(3S)-1-[(4R)-4,5,6,7-tetrahy…

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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) 3.15 7.28 -40.14 2 2 1 20 279.473 5 ↓
Mid Mid (pH 6-8) 3.15 9.47 -102.95 3 2 2 21 280.481 5 ↓

Analogs

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Popular Name: N-[[(3R)-1-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyrrolidin-3-yl]methyl]propan-1-amine N-[[(3R)-1-[(4R)-4,5,6,7-tetrahy…

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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) 3.15 7.29 -39.99 2 2 1 20 279.473 5 ↓
Mid Mid (pH 6-8) 3.15 9.5 -103.41 3 2 2 21 280.481 5 ↓

Analogs

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Popular Name: N-[[(3S)-1-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyrrolidin-3-yl]methyl]propan-2-amine N-[[(3S)-1-[(4R)-4,5,6,7-tetrahy…

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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) 3.29 7.05 -38 2 2 1 20 279.473 4 ↓
Mid Mid (pH 6-8) 3.29 9.24 -100.77 3 2 2 21 280.481 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-1-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyrrolidin-3-yl]methyl]propan-2-amine N-[[(3R)-1-[(4R)-4,5,6,7-tetrahy…

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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) 3.29 7.07 -37.9 2 2 1 20 279.473 4 ↓
Mid Mid (pH 6-8) 3.29 9.27 -100.99 3 2 2 21 280.481 4 ↓

Parameters Provided:

ring.id = 210800
filter.purchasability = annotated
page.format = targets
page.num = 1

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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 = 210800 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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