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Analogs

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Popular Name: N-isobutyl-N-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]cyclopropanamine N-isobutyl-N-[(5-isopropyl-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) 2.37 6.59 -31.61 1 4 1 43 238.355 6 ↓
Hi High (pH 8-9.5) 2.37 4.81 -5.46 0 4 0 42 237.347 6 ↓

Analogs

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Popular Name: N-[[5-(2-propoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine N-[[5-(2-propoxyethyl)-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) 1.00 2.93 -37.11 2 5 1 65 226.3 8 ↓

Analogs

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

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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) 2.14 5.75 -31.12 1 4 1 43 238.355 6 ↓
Hi High (pH 8-9.5) 2.14 4.17 -6.4 0 4 0 42 237.347 6 ↓

Analogs

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Popular Name: N-isobutyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]cyclopropanamine N-isobutyl-N-[(5-propyl-1,2,4-ox…

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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) 2.38 6.72 -31.5 1 4 1 43 238.355 7 ↓
Hi High (pH 8-9.5) 2.38 4.93 -5.49 0 4 0 42 237.347 7 ↓

Analogs

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

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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) 1.59 3.81 -35.64 2 4 1 56 210.301 5 ↓

Analogs

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

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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) 1.59 3.81 -35.54 2 4 1 56 210.301 5 ↓

Analogs

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Popular Name: N-[[5-(methylsulfonylmethyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine N-[[5-(methylsulfonylmethyl)-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) -0.67 -1.14 -49.73 2 6 1 90 232.285 5 ↓

Analogs

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Popular Name: N-[[5-(methylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine N-[[5-(methylsulfanylmethyl)-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) 0.46 2.53 -38.04 2 4 1 56 200.287 5 ↓

Analogs

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Popular Name: N-[[5-(2-methylsulfanylethyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine N-[[5-(2-methylsulfanylethyl)-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) 0.66 3.32 -37.31 2 4 1 56 214.314 6 ↓

Analogs

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Popular Name: 3-[cyclopropyl-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic 3-[cyclopropyl-[(5-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) 0.28 5.18 -41.47 1 6 0 83 239.275 7 ↓

Analogs

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Popular Name: 3-[cyclopropyl-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic 3-[cyclopropyl-[(5-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) 0.76 5.79 -40.9 1 6 0 83 253.302 7 ↓

Analogs

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Popular Name: 3-[cyclopropyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic 3-[cyclopropyl-[(5-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) 0.78 5.95 -41.27 1 6 0 83 253.302 8 ↓

Analogs

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Popular Name: 2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl-cyclopropyl-amino]acetic 2-[(5-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) 0.24 5.7 -29.03 1 6 0 83 253.302 6 ↓

Analogs

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Popular Name: 2-[cyclopropyl-[(5-isobutyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic 2-[cyclopropyl-[(5-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) -0.16 5.87 -29.5 1 6 0 83 253.302 7 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 1.48 6.22 -36.98 1 6 1 70 268.337 8 ↓
Mid Mid (pH 6-8) 1.48 4.34 -11.69 0 6 0 68 267.329 8 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 1.50 6.36 -35.71 1 6 1 70 268.337 9 ↓
Mid Mid (pH 6-8) 1.50 4.47 -9.99 0 6 0 68 267.329 9 ↓

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Popular Name: ethyl ethyl

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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) 1.74 6.97 -36.68 1 6 1 70 282.364 9 ↓
Mid Mid (pH 6-8) 1.74 5.07 -11.3 0 6 0 68 281.356 9 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 0.43 4.86 -37.72 1 6 1 70 240.283 7 ↓
Mid Mid (pH 6-8) 0.43 2.98 -12.7 0 6 0 68 239.275 7 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.15 6.74 -36.82 1 6 1 70 282.364 8 ↓
Mid Mid (pH 6-8) 2.15 4.86 -11.65 0 6 0 68 281.356 8 ↓

Parameters Provided:

ring.id = 94418
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 = 94418 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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