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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-amino-N-(cyclohexylmethyl)-1,2,5-oxadiazole-3-carboxamide 4-amino-N-(cyclohexylmethyl)-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) 1.72 2.2 -4.82 3 6 0 94 224.264 3 ↓

Analogs

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Popular Name: 4-amino-N-[(4-ethylcyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide 4-amino-N-[(4-ethylcyclohexyl)me…

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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) 2.18 3.46 -4.76 3 6 0 94 252.318 4 ↓

Analogs

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Popular Name: (2S)-2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-2-cyclohexyl-acetic (2S)-2-[(4-amino-1,2,5-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) -0.50 3.11 -44.29 3 8 -1 134 267.265 4 ↓

Analogs

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Popular Name: (2R)-2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-2-cyclohexyl-acetic (2R)-2-[(4-amino-1,2,5-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) -0.50 2.85 -46.06 3 8 -1 134 267.265 4 ↓

Analogs

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Popular Name: 4-amino-N-[[(1R,3R)-1-(dimethylamino)-3-methyl-cyclohexyl]methyl]-1,2,5-oxadiazole-3-carboxamide 4-amino-N-[[(1R,3R)-1-(dimethyla…

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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) 1.45 4.52 -38.86 4 7 1 98 282.368 4 ↓

Analogs

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Popular Name: 4-amino-N-[[(1R,3S)-1-(dimethylamino)-3-methyl-cyclohexyl]methyl]-1,2,5-oxadiazole-3-carboxamide 4-amino-N-[[(1R,3S)-1-(dimethyla…

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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) 1.45 3.36 -40.61 4 7 1 98 282.368 4 ↓

Analogs

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Popular Name: 4-amino-N-[[(1S,3R)-1-(dimethylamino)-3-methyl-cyclohexyl]methyl]-1,2,5-oxadiazole-3-carboxamide 4-amino-N-[[(1S,3R)-1-(dimethyla…

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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) 1.45 3.36 -40.66 4 7 1 98 282.368 4 ↓

Analogs

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Popular Name: 4-amino-N-[[(1S,3S)-1-(dimethylamino)-3-methyl-cyclohexyl]methyl]-1,2,5-oxadiazole-3-carboxamide 4-amino-N-[[(1S,3S)-1-(dimethyla…

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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) 1.45 3.72 -40.81 4 7 1 98 282.368 4 ↓

Analogs

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Popular Name: 4-amino-N-[[1-(dimethylamino)cyclohexyl]methyl]-1,2,5-oxadiazole-3-carboxamide 4-amino-N-[[1-(dimethylamino)cyc…

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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) 1.44 2.78 -40.22 4 7 1 98 268.341 4 ↓

Analogs

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Popular Name: 4-amino-N-[[(1S,2R)-2-methylcyclohexyl]methyl]-1,2,5-oxadiazole-3-carboxamide 4-amino-N-[[(1S,2R)-2-methylcycl…

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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) 1.96 2.42 -4.67 3 6 0 94 238.291 3 ↓

Analogs

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Popular Name: 4-amino-N-[[(1S,2S)-2-methylcyclohexyl]methyl]-1,2,5-oxadiazole-3-carboxamide 4-amino-N-[[(1S,2S)-2-methylcycl…

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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) 1.96 2.65 -4.61 3 6 0 94 238.291 3 ↓

Analogs

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Popular Name: 4-amino-N-[[(1R,2R)-2-methylcyclohexyl]methyl]-1,2,5-oxadiazole-3-carboxamide 4-amino-N-[[(1R,2R)-2-methylcycl…

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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) 1.96 2.65 -4.63 3 6 0 94 238.291 3 ↓

Analogs

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Popular Name: 4-amino-N-[[(1R,2S)-2-methylcyclohexyl]methyl]-1,2,5-oxadiazole-3-carboxamide 4-amino-N-[[(1R,2S)-2-methylcycl…

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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) 1.96 2.42 -4.66 3 6 0 94 238.291 3 ↓

Analogs

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Popular Name: 2-[1-[[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]methyl]cyclohexyl]acetic 2-[1-[[(4-amino-1,2,5-oxadiazole…

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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) 0.94 3.02 -43.73 3 8 -1 134 281.292 5 ↓
Lo Low (pH 4.5-6) 0.94 1.04 -8.21 4 8 0 131 282.3 5 ↓

Analogs

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Popular Name: 4-amino-N-[(1S)-1-cyclohexylethyl]-1,2,5-oxadiazole-3-carboxamide 4-amino-N-[(1S)-1-cyclohexylethy…

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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) 2.05 2.69 -4.69 3 6 0 94 238.291 3 ↓

Analogs

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Popular Name: 4-amino-N-[(1R)-1-cyclohexylethyl]-1,2,5-oxadiazole-3-carboxamide 4-amino-N-[(1R)-1-cyclohexylethy…

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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) 2.05 2.97 -4.76 3 6 0 94 238.291 3 ↓

Analogs

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Popular Name: 4-amino-N-[(1S)-1-cyclohexylpropyl]-1,2,5-oxadiazole-3-carboxamide 4-amino-N-[(1S)-1-cyclohexylprop…

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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) 2.59 3.58 -4.65 3 6 0 94 252.318 4 ↓

Analogs

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Popular Name: 4-amino-N-[(1R)-1-cyclohexylpropyl]-1,2,5-oxadiazole-3-carboxamide 4-amino-N-[(1R)-1-cyclohexylprop…

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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) 2.59 3.7 -4.56 3 6 0 94 252.318 4 ↓

Parameters Provided:

ring.id = 122766
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 = 122766 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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