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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: 4-fluoro-N-(2-thiomorpholinoethyl)aniline 4-fluoro-N-(2-thiomorpholinoethy…

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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) 2.38 7.1 -46.29 2 2 1 16 241.355 4 ↓
Mid Mid (pH 6-8) 2.38 4.99 -4.82 1 2 0 15 240.347 4 ↓

Analogs

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Popular Name: 2-bromo-N-(2-thiomorpholinoethyl)aniline 2-bromo-N-(2-thiomorpholinoethyl…

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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) 2.97 5.64 -3.71 1 2 0 15 301.253 4 ↓
Mid Mid (pH 6-8) 2.97 7.74 -42.36 2 2 1 16 302.261 4 ↓

Analogs

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Popular Name: 2-chloro-N-(2-thiomorpholinoethyl)aniline 2-chloro-N-(2-thiomorpholinoethy…

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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) 2.84 5.51 -3.68 1 2 0 15 256.802 4 ↓
Mid Mid (pH 6-8) 2.84 7.61 -42.36 2 2 1 16 257.81 4 ↓

Analogs

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Popular Name: 3-methyl-N-(2-thiomorpholinoethyl)aniline 3-methyl-N-(2-thiomorpholinoethy…

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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) 2.64 7.68 -42.11 2 2 1 16 237.392 4 ↓
Mid Mid (pH 6-8) 2.64 5.58 -3.89 1 2 0 15 236.384 4 ↓

Analogs

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Popular Name: 4-methyl-N-(2-thiomorpholinoethyl)aniline 4-methyl-N-(2-thiomorpholinoethy…

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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) 2.66 7.69 -42.03 2 2 1 16 237.392 4 ↓
Mid Mid (pH 6-8) 2.66 5.6 -3.83 1 2 0 15 236.384 4 ↓

Analogs

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Popular Name: 4-chloro-N-(2-thiomorpholinoethyl)aniline 4-chloro-N-(2-thiomorpholinoethy…

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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) 2.89 7.54 -45.16 2 2 1 16 257.81 4 ↓
Mid Mid (pH 6-8) 2.89 5.44 -4.08 1 2 0 15 256.802 4 ↓

Analogs

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Popular Name: 2-fluoro-N-(2-thiomorpholinoethyl)aniline 2-fluoro-N-(2-thiomorpholinoethy…

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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) 2.33 7.11 -43.13 2 2 1 16 241.355 4 ↓
Mid Mid (pH 6-8) 2.33 5.01 -4.42 1 2 0 15 240.347 4 ↓

Analogs

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Popular Name: 3-chloro-N-(2-thiomorpholinoethyl)aniline 3-chloro-N-(2-thiomorpholinoethy…

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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) 2.87 7.53 -43.18 2 2 1 16 257.81 4 ↓
Mid Mid (pH 6-8) 2.87 5.43 -4.22 1 2 0 15 256.802 4 ↓

Analogs

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Popular Name: 3-fluoro-N-(2-thiomorpholinoethyl)aniline 3-fluoro-N-(2-thiomorpholinoethy…

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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) 2.35 7.08 -44.15 2 2 1 16 241.355 4 ↓
Mid Mid (pH 6-8) 2.35 4.99 -4.98 1 2 0 15 240.347 4 ↓

Analogs

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Popular Name: 3-bromo-N-(2-thiomorpholinoethyl)aniline 3-bromo-N-(2-thiomorpholinoethyl…

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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) 3.00 5.53 -4.17 1 2 0 15 301.253 4 ↓
Mid Mid (pH 6-8) 3.00 7.63 -43.12 2 2 1 16 302.261 4 ↓

Analogs

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Popular Name: 2-methyl-N-(2-thiomorpholinoethyl)aniline 2-methyl-N-(2-thiomorpholinoethy…

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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 7.83 -42.59 2 2 1 16 237.392 4 ↓
Mid Mid (pH 6-8) 2.61 5.72 -3.86 1 2 0 15 236.384 4 ↓

Analogs

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Popular Name: 4-bromo-N-(2-thiomorpholinoethyl)aniline 4-bromo-N-(2-thiomorpholinoethyl…

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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) 3.02 7.64 -45.26 2 2 1 16 302.261 4 ↓
Mid Mid (pH 6-8) 3.02 5.54 -4.11 1 2 0 15 301.253 4 ↓

Analogs

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Popular Name: N-[(2S)-2-thiomorpholinopropyl]aniline N-[(2S)-2-thiomorpholinopropyl]a…

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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) 2.54 7.6 -38.3 2 2 1 16 237.392 4 ↓
Mid Mid (pH 6-8) 2.54 5.74 -3.03 1 2 0 15 236.384 4 ↓

Analogs

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Popular Name: N-[(2R)-2-thiomorpholinopropyl]aniline N-[(2R)-2-thiomorpholinopropyl]a…

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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) 2.54 7.6 -38.3 2 2 1 16 237.392 4 ↓
Mid Mid (pH 6-8) 2.54 5.7 -2.99 1 2 0 15 236.384 4 ↓

Analogs

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Popular Name: 2-(2-thiomorpholinoethylamino)benzamide 2-(2-thiomorpholinoethylamino)be…

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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) 0.98 4.19 -41.06 4 4 1 60 266.39 5 ↓
Mid Mid (pH 6-8) 0.98 2.09 -7.94 3 4 0 58 265.382 5 ↓

Analogs

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Popular Name: 5-amino-2-(2-thiomorpholinoethylamino)benzamide 5-amino-2-(2-thiomorpholinoethyl…

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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 2.06 -40.76 6 5 1 86 281.405 5 ↓
Mid Mid (pH 6-8) 0.04 -0.05 -8.17 5 5 0 84 280.397 5 ↓

Analogs

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Popular Name: N-[2-[(3R)-3-methylthiomorpholin-4-yl]ethyl]aniline N-[2-[(3R)-3-methylthiomorpholin…

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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) 2.54 7.45 -39.49 2 2 1 16 237.392 4 ↓
Mid Mid (pH 6-8) 2.54 5.43 -3.62 1 2 0 15 236.384 4 ↓

Analogs

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Popular Name: N-[2-[(3S)-3-methylthiomorpholin-4-yl]ethyl]aniline N-[2-[(3S)-3-methylthiomorpholin…

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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) 2.54 7.45 -39.48 2 2 1 16 237.392 4 ↓
Mid Mid (pH 6-8) 2.54 5.43 -3.63 1 2 0 15 236.384 4 ↓

Parameters Provided:

ring.id = 53355
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 = 53355 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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