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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: (1R)-N-[(1-methylbenzimidazol-2-yl)methyl]-1-(4-methylthiazol-2-yl)ethanamine (1R)-N-[(1-methylbenzimidazol-2-…

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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) 2.00 6.91 -45.13 2 4 1 47 287.412 4 ↓
Hi High (pH 8-9.5) 2.00 5.73 -9.87 1 4 0 43 286.404 4 ↓

Analogs

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Popular Name: (1S)-N-[(1-methylbenzimidazol-2-yl)methyl]-1-(4-methylthiazol-2-yl)ethanamine (1S)-N-[(1-methylbenzimidazol-2-…

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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) 2.00 6.9 -46.39 2 4 1 47 287.412 4 ↓
Hi High (pH 8-9.5) 2.00 5.68 -11 1 4 0 43 286.404 4 ↓

Analogs

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Popular Name: (1S)-N-[(1-ethylbenzimidazol-2-yl)methyl]-1-(4-methylthiazol-2-yl)ethanamine (1S)-N-[(1-ethylbenzimidazol-2-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) 2.38 7.81 -45.97 2 4 1 47 301.439 5 ↓
Hi High (pH 8-9.5) 2.38 6.64 -13.06 1 4 0 43 300.431 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[(1-ethylbenzimidazol-2-yl)methyl]-1-(4-methylthiazol-2-yl)ethanamine (1R)-N-[(1-ethylbenzimidazol-2-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) 2.38 7.8 -44.69 2 4 1 47 301.439 5 ↓
Hi High (pH 8-9.5) 2.38 6.59 -10.11 1 4 0 43 300.431 5 ↓

Analogs

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Popular Name: N-[(1-methylbenzimidazol-2-yl)methyl]-1-(4-methylthiazol-2-yl)methanamine N-[(1-methylbenzimidazol-2-yl)me…

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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) 1.44 6.4 -49.8 2 4 1 47 273.385 4 ↓
Hi High (pH 8-9.5) 1.44 5.04 -11.87 1 4 0 43 272.377 4 ↓

Analogs

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Popular Name: 1-(1-ethylbenzimidazol-2-yl)-N-(thiazol-2-ylmethyl)methanamine 1-(1-ethylbenzimidazol-2-yl)-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) 1.60 6.7 -49.21 2 4 1 47 273.385 5 ↓
Hi High (pH 8-9.5) 1.60 5.34 -13.62 1 4 0 43 272.377 5 ↓

Analogs

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Popular Name: 1-(1-propylbenzimidazol-2-yl)-N-(thiazol-2-ylmethyl)methanamine 1-(1-propylbenzimidazol-2-yl)-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) 2.10 7.45 -49.23 2 4 1 47 287.412 6 ↓
Hi High (pH 8-9.5) 2.10 6.09 -13.16 1 4 0 43 286.404 6 ↓

Parameters Provided:

ring.id = 298761
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 = 298761 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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