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Analogs

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Popular Name: N-[(1S)-2-methyl-1-(2-thienyl)propyl]indan-2-amine N-[(1S)-2-methyl-1-(2-thienyl)pr…

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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) 4.49 9.03 -2.65 1 1 0 12 271.429 4 ↓
Mid Mid (pH 6-8) 4.49 10.44 -37.29 2 1 1 17 272.437 4 ↓

Analogs

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Popular Name: N-[(1R)-2-methyl-1-(2-thienyl)propyl]indan-2-amine N-[(1R)-2-methyl-1-(2-thienyl)pr…

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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) 4.49 9.04 -3.12 1 1 0 12 271.429 4 ↓
Mid Mid (pH 6-8) 4.49 10.1 -39.12 2 1 1 17 272.437 4 ↓

Analogs

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Popular Name: methyl methyl

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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) 3.19 8.91 -5.9 1 3 0 38 301.411 6 ↓

Analogs

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Popular Name: methyl methyl

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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) 3.19 8.72 -5.24 1 3 0 38 301.411 6 ↓

Analogs

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Popular Name: (3S)-3-(indan-2-ylamino)-3-(2-thienyl)propanoic (3S)-3-(indan-2-ylamino)-3-(2-th…

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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) 2.88 8.66 -43.22 1 3 -1 52 286.376 5 ↓
Mid Mid (pH 6-8) 2.88 9.74 -31.09 2 3 0 57 287.384 5 ↓

Analogs

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Popular Name: (3R)-3-(indan-2-ylamino)-3-(2-thienyl)propanoic (3R)-3-(indan-2-ylamino)-3-(2-th…

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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) 2.88 8.35 -45.26 1 3 -1 52 286.376 5 ↓
Mid Mid (pH 6-8) 2.88 9.32 -29.83 2 3 0 57 287.384 5 ↓

Analogs

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Popular Name: 2-(aminomethyl)-N-ethyl-N-(2-thienylmethyl)indan-2-amine 2-(aminomethyl)-N-ethyl-N-(2-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) 2.68 6.51 -53.51 3 2 1 31 287.452 5 ↓

Analogs

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Popular Name: 2-(aminomethyl)-N-[(5-chloro-2-thienyl)methyl]-N-methyl-indan-2-amine 2-(aminomethyl)-N-[(5-chloro-2-t…

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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) 3.10 6.67 -55.67 3 2 1 31 307.87 4 ↓

Analogs

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Popular Name: N-[(1S)-1-(2-thienyl)propyl]indan-2-amine N-[(1S)-1-(2-thienyl)propyl]inda…

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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) 4.24 8.91 -2.69 1 1 0 12 257.402 4 ↓
Mid Mid (pH 6-8) 4.24 9.8 -37.8 2 1 1 17 258.41 4 ↓

Analogs

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Popular Name: N-[(1R)-1-(2-thienyl)propyl]indan-2-amine N-[(1R)-1-(2-thienyl)propyl]inda…

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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) 4.24 8.58 -3.46 1 1 0 12 257.402 4 ↓
Mid Mid (pH 6-8) 4.24 9.56 -39.71 2 1 1 17 258.41 4 ↓

Analogs

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Popular Name: N-[(1S)-1-(2-thienyl)butyl]indan-2-amine N-[(1S)-1-(2-thienyl)butyl]indan…

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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) 4.80 9.67 -2.63 1 1 0 12 271.429 5 ↓
Mid Mid (pH 6-8) 4.80 10.56 -38.9 2 1 1 17 272.437 5 ↓

Analogs

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Popular Name: N-[(1R)-1-(2-thienyl)butyl]indan-2-amine N-[(1R)-1-(2-thienyl)butyl]indan…

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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) 4.80 9.44 -3.6 1 1 0 12 271.429 5 ↓
Mid Mid (pH 6-8) 4.80 10.14 -39.74 2 1 1 17 272.437 5 ↓

Analogs

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Popular Name: [2-(2-thienylmethylamino)indan-2-yl]methanol [2-(2-thienylmethylamino)indan-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) 2.62 4.3 -5.38 2 2 0 32 259.374 4 ↓
Mid Mid (pH 6-8) 2.62 5.53 -35.47 3 2 1 37 260.382 4 ↓

Parameters Provided:

ring.id = 134167
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 = 134167 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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