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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

35497592
35497592

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Popular Name: (1R)-1-(2,5-dimethyl-3-thienyl)-1-indan-5-yl-N-methyl-methanamine (1R)-1-(2,5-dimethyl-3-thienyl)-…

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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) 3.72 10.27 -39.13 2 1 1 17 272.437 3 ↓
Hi High (pH 8-9.5) 3.72 9.5 -3.63 1 1 0 12 271.429 3 ↓

Analogs

35497590
35497590

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Popular Name: (1S)-1-(2,5-dimethyl-3-thienyl)-1-indan-5-yl-N-methyl-methanamine (1S)-1-(2,5-dimethyl-3-thienyl)-…

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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) 3.72 10.51 -39.58 2 1 1 17 272.437 3 ↓
Hi High (pH 8-9.5) 3.72 9.49 -3.77 1 1 0 12 271.429 3 ↓

Analogs

35502160
35502160

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Popular Name: (1S)-1-(2,5-dichloro-3-thienyl)-1-indan-5-yl-N-methyl-methanamine (1S)-1-(2,5-dichloro-3-thienyl)-…

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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) 4.88 10.15 -39.57 2 1 1 17 313.273 3 ↓
Hi High (pH 8-9.5) 4.88 9.25 -1.72 1 1 0 12 312.265 3 ↓

Analogs

35502159
35502159

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Popular Name: (1R)-1-(2,5-dichloro-3-thienyl)-1-indan-5-yl-N-methyl-methanamine (1R)-1-(2,5-dichloro-3-thienyl)-…

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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) 4.88 10.06 -39.35 2 1 1 17 313.273 3 ↓
Hi High (pH 8-9.5) 4.88 9.19 -2.05 1 1 0 12 312.265 3 ↓

Analogs

35502760
35502760

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Popular Name: (1S)-1-(2,5-dibromo-3-thienyl)-1-indan-5-yl-N-methyl-methanamine (1S)-1-(2,5-dibromo-3-thienyl)-1…

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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) 5.15 10.29 -39.35 2 1 1 17 402.175 3 ↓
Hi High (pH 8-9.5) 5.15 9.44 -1.84 1 1 0 12 401.167 3 ↓

Analogs

35502758
35502758

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Popular Name: (1R)-1-(2,5-dibromo-3-thienyl)-1-indan-5-yl-N-methyl-methanamine (1R)-1-(2,5-dibromo-3-thienyl)-1…

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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) 5.15 10.2 -39.1 2 1 1 17 402.175 3 ↓
Hi High (pH 8-9.5) 5.15 9.33 -2.07 1 1 0 12 401.167 3 ↓

Parameters Provided:

ring.id = 17388
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 = 17388 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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