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Analogs

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Popular Name: (1S,2R)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]cyclopentanecarbonitrile (1S,2R)-2-[(3-methyl-1,2,4-oxadi…

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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) 0.63 3.02 -50.1 2 5 1 79 207.257 3 ↓
Mid Mid (pH 6-8) 0.63 1.82 -12.99 1 5 0 75 206.249 3 ↓

Analogs

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Popular Name: (1S,2S)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]cyclopentanecarbonitrile (1S,2S)-2-[(3-methyl-1,2,4-oxadi…

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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) 0.63 2.81 -54.46 2 5 1 79 207.257 3 ↓
Mid Mid (pH 6-8) 0.63 1.63 -11.25 1 5 0 75 206.249 3 ↓

Analogs

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Popular Name: (1R,2R)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]cyclopentanecarbonitrile (1R,2R)-2-[(3-methyl-1,2,4-oxadi…

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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) 0.63 2.87 -55.89 2 5 1 79 207.257 3 ↓
Mid Mid (pH 6-8) 0.63 1.63 -9.74 1 5 0 75 206.249 3 ↓

Analogs

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Popular Name: (1R,2S)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]cyclopentanecarbonitrile (1R,2S)-2-[(3-methyl-1,2,4-oxadi…

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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) 0.63 2.98 -51.74 2 5 1 79 207.257 3 ↓
Mid Mid (pH 6-8) 0.63 2.01 -13.44 1 5 0 75 206.249 3 ↓

Analogs

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Popular Name: N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]cyclopentanamine N-ethyl-N-[(3-ethyl-1,2,4-oxadia…

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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) 2.17 5.44 -36.21 1 4 1 43 224.328 5 ↓

Analogs

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Popular Name: 2-[cyclopentyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic 2-[cyclopentyl-[(3-methyl-1,2,4-…

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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) -0.45 4.75 -31.43 1 6 0 83 239.275 5 ↓

Analogs

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Popular Name: 2-[cyclopentyl-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic 2-[cyclopentyl-[(3-ethyl-1,2,4-o…

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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) 0.13 5.72 -30.11 1 6 0 83 253.302 6 ↓

Analogs

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Popular Name: 2-[cyclopentyl-[(3-isobutyl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic 2-[cyclopentyl-[(3-isobutyl-1,2,…

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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) 0.87 6.6 -30.49 1 6 0 83 281.356 7 ↓

Analogs

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Popular Name: 2-[cyclopentyl-[(3-isopropyl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic 2-[cyclopentyl-[(3-isopropyl-1,2…

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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) 0.61 6.17 -30.02 1 6 0 83 267.329 6 ↓

Analogs

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Popular Name: 2-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl-cyclopentyl-amino]acetic 2-[(3-butyl-1,2,4-oxadiazol-5-yl…

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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) 1.19 6.92 -30.56 1 6 0 83 281.356 8 ↓

Analogs

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Popular Name: 2-[cyclopentyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic 2-[cyclopentyl-[(3-propyl-1,2,4-…

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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) 0.63 6.14 -30.62 1 6 0 83 267.329 7 ↓

Analogs

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Popular Name: 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl-cyclopentyl-amino]acetic 2-[(3-tert-butyl-1,2,4-oxadiazol…

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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) 1.28 6.72 -29.73 1 6 0 83 281.356 6 ↓

Analogs

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Popular Name: N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentanamine N-[[3-(2-methoxyethyl)-1,2,4-oxa…

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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) 1.16 2.29 -45.03 2 5 1 65 226.3 6 ↓

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 = 24941 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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