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Analogs

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Popular Name: N-[(1R)-1-(5-methyl-2-thienyl)ethyl]naphthalen-1-amine N-[(1R)-1-(5-methyl-2-thienyl)et…

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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) 5.03 10.11 -4.65 1 1 0 12 267.397 3 ↓

Analogs

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Popular Name: N-[(1S)-1-(5-methyl-2-thienyl)ethyl]naphthalen-1-amine N-[(1S)-1-(5-methyl-2-thienyl)et…

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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) 5.03 10.11 -4.65 1 1 0 12 267.397 3 ↓

Analogs

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Popular Name: N-[(1R)-1-(3-methyl-2-thienyl)ethyl]naphthalen-1-amine N-[(1R)-1-(3-methyl-2-thienyl)et…

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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) 5.19 9.86 -4.58 1 1 0 12 267.397 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(3-methyl-2-thienyl)ethyl]naphthalen-1-amine N-[(1S)-1-(3-methyl-2-thienyl)et…

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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) 5.19 9.85 -4.58 1 1 0 12 267.397 3 ↓

Analogs

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Popular Name: 5-[[(1R)-1-(3-methyl-2-thienyl)ethyl]amino]naphthalen-1-ol 5-[[(1R)-1-(3-methyl-2-thienyl)e…

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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) 4.92 7.07 -6.02 2 2 0 32 283.396 3 ↓

Analogs

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Popular Name: 5-[[(1S)-1-(3-methyl-2-thienyl)ethyl]amino]naphthalen-1-ol 5-[[(1S)-1-(3-methyl-2-thienyl)e…

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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) 4.92 7.05 -6.06 2 2 0 32 283.396 3 ↓

Analogs

41204769
41204769
37132375
37132375
37132376
37132376

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Popular Name: 5-[[(1R)-1-(5-ethyl-2-thienyl)ethyl]amino]naphthalen-1-ol 5-[[(1R)-1-(5-ethyl-2-thienyl)et…

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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) 5.34 8.11 -5.97 2 2 0 32 297.423 4 ↓

Analogs

41204767
41204767
37132375
37132375
37132376
37132376

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Popular Name: 5-[[(1S)-1-(5-ethyl-2-thienyl)ethyl]amino]naphthalen-1-ol 5-[[(1S)-1-(5-ethyl-2-thienyl)et…

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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) 5.34 8.11 -5.88 2 2 0 32 297.423 4 ↓

Analogs

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Popular Name: N-[(1S)-2-methyl-1-(2-thienyl)propyl]naphthalen-1-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) 5.56 10.73 -4.39 1 1 0 12 281.424 4 ↓

Analogs

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Popular Name: N-[(1R)-2-methyl-1-(2-thienyl)propyl]naphthalen-1-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) 5.56 10.67 -4.37 1 1 0 12 281.424 4 ↓

Analogs

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Popular Name: N-[(1S)-1-(3-bromo-2-thienyl)ethyl]naphthalen-1-amine N-[(1S)-1-(3-bromo-2-thienyl)eth…

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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) 5.55 9.83 -4.59 1 1 0 12 332.266 3 ↓

Analogs

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Popular Name: N-[(1R)-1-(3-bromo-2-thienyl)ethyl]naphthalen-1-amine N-[(1R)-1-(3-bromo-2-thienyl)eth…

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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) 5.55 9.84 -4.58 1 1 0 12 332.266 3 ↓

Analogs

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Popular Name: 5-[[(1S)-2-methyl-1-(2-thienyl)propyl]amino]naphthalen-1-ol 5-[[(1S)-2-methyl-1-(2-thienyl)p…

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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) 5.29 7.71 -5.54 2 2 0 32 297.423 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(1R)-2-methyl-1-(2-thienyl)propyl]amino]naphthalen-1-ol 5-[[(1R)-2-methyl-1-(2-thienyl)p…

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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) 5.29 7.91 -6.02 2 2 0 32 297.423 4 ↓

Analogs

38003163
38003163
38003164
38003164

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Popular Name: 5-[[(1S)-1-(3-bromo-2-thienyl)ethyl]amino]naphthalen-1-ol 5-[[(1S)-1-(3-bromo-2-thienyl)et…

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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) 5.28 7.03 -6.11 2 2 0 32 348.265 3 ↓

Analogs

38003163
38003163
38003164
38003164

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(1R)-1-(3-bromo-2-thienyl)ethyl]amino]naphthalen-1-ol 5-[[(1R)-1-(3-bromo-2-thienyl)et…

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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) 5.28 7.04 -6.15 2 2 0 32 348.265 3 ↓

Parameters Provided:

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filter.purchasability = annotated
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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 = 54663 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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