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Analogs

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Popular Name: (1S)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-phenyl-ethanamine (1S)-N-[(4-methyl-1,2,5-oxadiazo…

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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) 2.37 5.43 -53.22 2 4 1 56 218.28 4 ↓
Hi High (pH 8-9.5) 2.37 4.31 -10.86 1 4 0 51 217.272 4 ↓

Analogs

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Popular Name: (1R)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-phenyl-ethanamine (1R)-N-[(4-methyl-1,2,5-oxadiazo…

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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) 2.37 5.4 -53.12 2 4 1 56 218.28 4 ↓
Hi High (pH 8-9.5) 2.37 4.29 -9.53 1 4 0 51 217.272 4 ↓

Analogs

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Popular Name: N-[(2-chlorophenyl)methyl]-1-(4-methyl-1,2,5-oxadiazol-3-yl)methanamine N-[(2-chlorophenyl)methyl]-1-(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) 2.44 5.23 -54.18 2 4 1 56 238.698 4 ↓
Mid Mid (pH 6-8) 2.44 3.85 -12.16 1 4 0 51 237.69 4 ↓

Analogs

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Popular Name: N-[(4-fluorophenyl)methyl]-1-(4-methyl-1,2,5-oxadiazol-3-yl)methanamine N-[(4-fluorophenyl)methyl]-1-(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 4.86 -63.67 2 4 1 56 222.243 4 ↓
Mid Mid (pH 6-8) 1.98 3.5 -12.58 1 4 0 51 221.235 4 ↓

Analogs

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Popular Name: N-[(2-fluorophenyl)methyl]-1-(4-methyl-1,2,5-oxadiazol-3-yl)methanamine N-[(2-fluorophenyl)methyl]-1-(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) 1.93 4.82 -55.74 2 4 1 56 222.243 4 ↓
Mid Mid (pH 6-8) 1.93 3.45 -13.34 1 4 0 51 221.235 4 ↓

Analogs

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Popular Name: N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(p-tolyl)methanamine N-[(4-methyl-1,2,5-oxadiazol-3-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) 2.26 5.46 -56.93 2 4 1 56 218.28 4 ↓
Hi High (pH 8-9.5) 2.26 4.11 -10.76 1 4 0 51 217.272 4 ↓

Analogs

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Popular Name: N-[(4-bromophenyl)methyl]-1-(4-methyl-1,2,5-oxadiazol-3-yl)methanamine N-[(4-bromophenyl)methyl]-1-(4-m…

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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 5.41 -62.73 2 4 1 56 283.149 4 ↓
Mid Mid (pH 6-8) 2.62 4.05 -11.73 1 4 0 51 282.141 4 ↓

Analogs

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Popular Name: N-[(4-chlorophenyl)methyl]-1-(4-methyl-1,2,5-oxadiazol-3-yl)methanamine N-[(4-chlorophenyl)methyl]-1-(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) 2.49 5.31 -62.46 2 4 1 56 238.698 4 ↓
Mid Mid (pH 6-8) 2.49 3.95 -11.79 1 4 0 51 237.69 4 ↓

Analogs

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Popular Name: N-[(3-fluorophenyl)methyl]-1-(4-methyl-1,2,5-oxadiazol-3-yl)methanamine N-[(3-fluorophenyl)methyl]-1-(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) 1.95 4.86 -62.55 2 4 1 56 222.243 4 ↓
Mid Mid (pH 6-8) 1.95 3.5 -13.4 1 4 0 51 221.235 4 ↓

Analogs

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Popular Name: N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(o-tolyl)methanamine N-[(4-methyl-1,2,5-oxadiazol-3-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) 2.21 5.41 -56.41 2 4 1 56 218.28 4 ↓
Mid Mid (pH 6-8) 2.21 4.05 -11.1 1 4 0 51 217.272 4 ↓

Analogs

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Popular Name: N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(m-tolyl)methanamine N-[(4-methyl-1,2,5-oxadiazol-3-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) 2.24 5.45 -57.14 2 4 1 56 218.28 4 ↓
Hi High (pH 8-9.5) 2.24 4.1 -10.83 1 4 0 51 217.272 4 ↓

Analogs

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Popular Name: N-[(3-bromophenyl)methyl]-1-(4-methyl-1,2,5-oxadiazol-3-yl)methanamine N-[(3-bromophenyl)methyl]-1-(4-m…

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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) 2.60 5.4 -61.49 2 4 1 56 283.149 4 ↓
Mid Mid (pH 6-8) 2.60 4.04 -12.39 1 4 0 51 282.141 4 ↓

Analogs

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Popular Name: N-[(2-bromophenyl)methyl]-1-(4-methyl-1,2,5-oxadiazol-3-yl)methanamine N-[(2-bromophenyl)methyl]-1-(4-m…

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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) 2.58 5.34 -53.73 2 4 1 56 283.149 4 ↓
Mid Mid (pH 6-8) 2.58 3.93 -12.05 1 4 0 51 282.141 4 ↓

Analogs

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Popular Name: N-[(3-chlorophenyl)methyl]-1-(4-methyl-1,2,5-oxadiazol-3-yl)methanamine N-[(3-chlorophenyl)methyl]-1-(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) 2.47 5.3 -61.35 2 4 1 56 238.698 4 ↓
Mid Mid (pH 6-8) 2.47 3.94 -12.43 1 4 0 51 237.69 4 ↓

Parameters Provided:

ring.id = 459975
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 = 459975 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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