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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: N-methyl-1-[4-(1,4-thiazepan-4-ylmethyl)thiazol-2-yl]methanamine N-methyl-1-[4-(1,4-thiazepan-4-y…

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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) 0.86 6.08 -92.26 3 3 2 34 259.444 4 ↓
Hi High (pH 8-9.5) 0.86 3.12 -5.22 1 3 0 28 257.428 4 ↓
Mid Mid (pH 6-8) 0.86 4.56 -40.09 2 3 1 33 258.436 4 ↓

Analogs

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Popular Name: N-[[4-(1,4-thiazepan-4-ylmethyl)thiazol-2-yl]methyl]ethanamine N-[[4-(1,4-thiazepan-4-ylmethyl)…

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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) 1.24 6.94 -91.82 3 3 2 34 273.471 5 ↓
Hi High (pH 8-9.5) 1.24 4.05 -5.05 1 3 0 28 271.455 5 ↓
Mid Mid (pH 6-8) 1.24 5.42 -39.11 2 3 1 33 272.463 5 ↓

Analogs

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Popular Name: N-[[4-(1,4-thiazepan-4-ylmethyl)thiazol-2-yl]methyl]propan-1-amine N-[[4-(1,4-thiazepan-4-ylmethyl)…

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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) 1.74 7.7 -93.43 3 3 2 34 287.498 6 ↓
Hi High (pH 8-9.5) 1.74 4.81 -4.85 1 3 0 28 285.482 6 ↓
Mid Mid (pH 6-8) 1.74 6.17 -40.01 2 3 1 33 286.49 6 ↓

Analogs

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Popular Name: N-[[4-(1,4-thiazepan-4-ylmethyl)thiazol-2-yl]methyl]propan-2-amine N-[[4-(1,4-thiazepan-4-ylmethyl)…

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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) 1.53 7.48 -90.84 3 3 2 34 287.498 5 ↓
Hi High (pH 8-9.5) 1.53 4.72 -4.95 1 3 0 28 285.482 5 ↓
Mid Mid (pH 6-8) 1.53 5.95 -37.2 2 3 1 33 286.49 5 ↓

Analogs

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Popular Name: 2-methyl-N-[[4-(1,4-thiazepan-4-ylmethyl)thiazol-2-yl]methyl]propan-2-amine 2-methyl-N-[[4-(1,4-thiazepan-4-…

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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) 2.04 7.9 -89.54 3 3 2 34 301.525 5 ↓
Hi High (pH 8-9.5) 2.04 5.13 -4.74 1 3 0 28 299.509 5 ↓
Mid Mid (pH 6-8) 2.04 6.38 -35.42 2 3 1 33 300.517 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[4-(1,4-thiazepan-4-ylmethyl)thiazol-2-yl]methyl]propan-1-amine 2-methyl-N-[[4-(1,4-thiazepan-4-…

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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) 1.98 8.39 -93.94 3 3 2 34 301.525 6 ↓
Hi High (pH 8-9.5) 1.98 5.64 -4.65 1 3 0 28 299.509 6 ↓
Mid Mid (pH 6-8) 1.98 6.87 -39.77 2 3 1 33 300.517 6 ↓

Analogs

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Popular Name: [4-(1,4-thiazepan-4-ylmethyl)thiazol-2-yl]methanamine [4-(1,4-thiazepan-4-ylmethyl)thi…

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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) 0.48 4.21 -97.5 4 3 2 45 245.417 3 ↓
Hi High (pH 8-9.5) 0.48 2.28 -4.68 2 3 0 42 243.401 3 ↓
Mid Mid (pH 6-8) 0.48 3.8 -34.73 3 3 1 43 244.409 3 ↓

Analogs

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Popular Name: 4-(1,4-thiazepan-4-ylmethyl)thiazol-2-amine 4-(1,4-thiazepan-4-ylmethyl)thia…

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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) 1.18 5.14 -34.08 3 3 1 43 230.382 2 ↓
Mid Mid (pH 6-8) 1.18 3.62 -5.4 2 3 0 42 229.374 2 ↓

Analogs

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Popular Name: 4-(1,4-thiazepan-4-ylmethyl)thiazole-2-carboxylic 4-(1,4-thiazepan-4-ylmethyl)thia…

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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) 0.87 6.68 -59.77 1 4 0 57 258.368 3 ↓
Mid Mid (pH 6-8) 0.87 5.15 -48.4 0 4 -1 56 257.36 3 ↓

Parameters Provided:

ring.id = 223781
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 = 223781 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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