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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

40460819
40460819
40460820
40460820
40473255
40473255
50989397
50989397

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N-[(3,5-dimethylisoxazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexanamine (1R,2S)-N-[(3,5-dimethylisoxazol…

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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) 3.05 7.23 -45.13 2 3 1 43 277.31 4 ↓
Hi High (pH 8-9.5) 3.05 6.35 -7.13 1 3 0 38 276.302 4 ↓

Analogs

40460819
40460819
40460820
40460820
40473255
40473255
50989397
50989397

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-[(3,5-dimethylisoxazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexanamine (1S,2S)-N-[(3,5-dimethylisoxazol…

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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) 3.05 7.01 -46.4 2 3 1 43 277.31 4 ↓
Hi High (pH 8-9.5) 3.05 6.37 -7.46 1 3 0 38 276.302 4 ↓

Analogs

40460819
40460819
40460820
40460820
40473255
40473255
50989397
50989397

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N-[(3,5-dimethylisoxazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexanamine (1R,2R)-N-[(3,5-dimethylisoxazol…

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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) 3.05 7.01 -46.88 2 3 1 43 277.31 4 ↓
Hi High (pH 8-9.5) 3.05 5.73 -7.01 1 3 0 38 276.302 4 ↓

Analogs

40460819
40460819
40460820
40460820
40473255
40473255
50989397
50989397

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N-[(3,5-dimethylisoxazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexanamine (1S,2R)-N-[(3,5-dimethylisoxazol…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.05 7.23 -44.85 2 3 1 43 277.31 4 ↓
Hi High (pH 8-9.5) 3.05 6.71 -7.57 1 3 0 38 276.302 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R,4R)-N-(isoxazol-4-ylmethyl)-2,4-dimethyl-cyclohexanamine (1S,2R,4R)-N-(isoxazol-4-ylmethy…

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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) 2.06 6.15 -44.41 2 3 1 43 209.313 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R,4S)-N-(isoxazol-4-ylmethyl)-2,4-dimethyl-cyclohexanamine (1S,2R,4S)-N-(isoxazol-4-ylmethy…

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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) 2.06 5.74 -46.28 2 3 1 43 209.313 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,4R)-N-(isoxazol-4-ylmethyl)-2,4-dimethyl-cyclohexanamine (1R,2R,4R)-N-(isoxazol-4-ylmethy…

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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) 2.06 5.95 -45.87 2 3 1 43 209.313 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,4S)-N-(isoxazol-4-ylmethyl)-2,4-dimethyl-cyclohexanamine (1R,2R,4S)-N-(isoxazol-4-ylmethy…

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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) 2.06 5.71 -46.03 2 3 1 43 209.313 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4S)-N-[(3,5-dimethylisoxazol-4-yl)methyl]-2,4-dimethyl-cyclohexanamine (1R,2S,4S)-N-[(3,5-dimethylisoxa…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.50 7.41 -44.64 2 3 1 43 237.367 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4S)-N-[(3,5-dimethylisoxazol-4-yl)methyl]-2,4-dimethyl-cyclohexanamine (1S,2S,4S)-N-[(3,5-dimethylisoxa…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.50 7.2 -46.31 2 3 1 43 237.367 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4R)-N-[(3,5-dimethylisoxazol-4-yl)methyl]-2,4-dimethyl-cyclohexanamine (1R,2S,4R)-N-[(3,5-dimethylisoxa…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.50 6.99 -46.76 2 3 1 43 237.367 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4R)-N-[(3,5-dimethylisoxazol-4-yl)methyl]-2,4-dimethyl-cyclohexanamine (1S,2S,4R)-N-[(3,5-dimethylisoxa…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.50 6.97 -46.45 2 3 1 43 237.367 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3S)-N-[(3,5-dimethylisoxazol-4-yl)methyl]-3-methyl-cyclohexanamine (1R,3S)-N-[(3,5-dimethylisoxazol…

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Activity (Go SEA)

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 6.52 -47.13 2 3 1 43 223.34 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3S)-N-[(3,5-dimethylisoxazol-4-yl)methyl]-3-methyl-cyclohexanamine (1S,3S)-N-[(3,5-dimethylisoxazol…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 6.29 -46.88 2 3 1 43 223.34 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3R)-N-[(3,5-dimethylisoxazol-4-yl)methyl]-3-methyl-cyclohexanamine (1R,3R)-N-[(3,5-dimethylisoxazol…

Find On: PubMed — Wikipedia — Google

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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 6.29 -46.85 2 3 1 43 223.34 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3R)-N-[(3,5-dimethylisoxazol-4-yl)methyl]-3-methyl-cyclohexanamine (1S,3R)-N-[(3,5-dimethylisoxazol…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 6.52 -47.23 2 3 1 43 223.34 3 ↓

Analogs

42580320
42580320

Draw Identity 99% 90% 80% 70%

Popular Name: N-(isoxazol-4-ylmethyl)-4-propyl-cyclohexanamine N-(isoxazol-4-ylmethyl)-4-propyl…

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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) 2.83 6.89 -45.99 2 3 1 43 223.34 5 ↓

Parameters Provided:

ring.id = 146932
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 = 146932 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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