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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: N-cyclohexyl-N-methyl-azetidin-3-amine N-cyclohexyl-N-methyl-azetidin-3…

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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) 1.88 2.55 -36.65 2 2 1 20 169.292 2 ↓
Hi High (pH 8-9.5) 1.88 0.86 -0.97 1 2 0 15 168.284 2 ↓
Mid Mid (pH 6-8) 1.88 3.11 -31.58 2 2 1 16 169.292 2 ↓

Analogs

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Popular Name: N-cyclohexyl-N-ethyl-azetidin-3-amine N-cyclohexyl-N-ethyl-azetidin-3-…

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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 5.17 -109.55 3 2 2 21 184.327 3 ↓
Hi High (pH 8-9.5) 2.26 1.5 -0.95 1 2 0 15 182.311 3 ↓
Mid Mid (pH 6-8) 2.26 3.5 -30.3 2 2 1 16 183.319 3 ↓

Analogs

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Popular Name: N-methyl-N-(4-methylcyclohexyl)azetidin-3-amine N-methyl-N-(4-methylcyclohexyl)a…

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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) 1.65 3.18 -36.24 2 2 1 20 183.319 2 ↓
Hi High (pH 8-9.5) 1.65 1.49 -0.72 1 2 0 15 182.311 2 ↓
Mid Mid (pH 6-8) 1.65 3.72 -32.1 2 2 1 16 183.319 2 ↓

Analogs

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Popular Name: N-methyl-N-[(1S,3R)-3-methylcyclohexyl]azetidin-3-amine N-methyl-N-[(1S,3R)-3-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) 1.89 3.13 -36.5 2 2 1 20 183.319 2 ↓
Hi High (pH 8-9.5) 1.89 1.45 -0.96 1 2 0 15 182.311 2 ↓
Mid Mid (pH 6-8) 1.89 3.69 -32 2 2 1 16 183.319 2 ↓

Analogs

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Popular Name: N-methyl-N-[(1S,3S)-3-methylcyclohexyl]azetidin-3-amine N-methyl-N-[(1S,3S)-3-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) 1.89 2.91 -36.82 2 2 1 20 183.319 2 ↓
Hi High (pH 8-9.5) 1.89 1.23 -0.84 1 2 0 15 182.311 2 ↓
Mid Mid (pH 6-8) 1.89 3.49 -31.98 2 2 1 16 183.319 2 ↓

Analogs

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Popular Name: N-methyl-N-[(1R,3R)-3-methylcyclohexyl]azetidin-3-amine N-methyl-N-[(1R,3R)-3-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) 1.89 2.95 -36.53 2 2 1 20 183.319 2 ↓
Hi High (pH 8-9.5) 1.89 1.27 -0.7 1 2 0 15 182.311 2 ↓
Mid Mid (pH 6-8) 1.89 3.48 -31.92 2 2 1 16 183.319 2 ↓

Analogs

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Popular Name: N-methyl-N-[(1R,3S)-3-methylcyclohexyl]azetidin-3-amine N-methyl-N-[(1R,3S)-3-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) 1.89 3.12 -36.77 2 2 1 20 183.319 2 ↓
Hi High (pH 8-9.5) 1.89 1.44 -0.85 1 2 0 15 182.311 2 ↓
Mid Mid (pH 6-8) 1.89 3.73 -32.11 2 2 1 16 183.319 2 ↓

Analogs

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Popular Name: N-(4-ethylcyclohexyl)-N-methyl-azetidin-3-amine N-(4-ethylcyclohexyl)-N-methyl-a…

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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) 2.34 3.6 -36.2 2 2 1 20 197.346 3 ↓
Hi High (pH 8-9.5) 2.34 1.93 -0.68 1 2 0 15 196.338 3 ↓
Mid Mid (pH 6-8) 2.34 4.1 -32.6 2 2 1 16 197.346 3 ↓

Analogs

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Popular Name: N-methyl-N-[(1S,2R)-2-methylcyclohexyl]azetidin-3-amine N-methyl-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) 2.12 3.4 -36.94 2 2 1 20 183.319 2 ↓
Hi High (pH 8-9.5) 2.12 1.72 -0.75 1 2 0 15 182.311 2 ↓
Mid Mid (pH 6-8) 2.12 5.24 -110.8 3 2 2 21 184.327 2 ↓

Analogs

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Popular Name: N-methyl-N-[(1S,2S)-2-methylcyclohexyl]azetidin-3-amine N-methyl-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) 2.12 3.69 -36.6 2 2 1 20 183.319 2 ↓
Hi High (pH 8-9.5) 2.12 2.02 -0.55 1 2 0 15 182.311 2 ↓
Mid Mid (pH 6-8) 2.12 3.78 -30.75 2 2 1 16 183.319 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[(1R,2R)-2-methylcyclohexyl]azetidin-3-amine N-methyl-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) 2.12 3.31 -37.36 2 2 1 20 183.319 2 ↓
Hi High (pH 8-9.5) 2.12 1.62 -0.66 1 2 0 15 182.311 2 ↓
Mid Mid (pH 6-8) 2.12 3.41 -30.84 2 2 1 16 183.319 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[(1R,2S)-2-methylcyclohexyl]azetidin-3-amine N-methyl-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) 2.12 3.35 -36.69 2 2 1 20 183.319 2 ↓
Hi High (pH 8-9.5) 2.12 1.67 -0.71 1 2 0 15 182.311 2 ↓
Mid Mid (pH 6-8) 2.12 3.53 -31.11 2 2 1 16 183.319 2 ↓

Analogs

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Popular Name: tert-butyl tert-butyl

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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) 3.16 7.36 -45 2 4 1 46 283.436 4 ↓
Hi High (pH 8-9.5) 3.16 6.96 -6.1 1 4 0 42 282.428 4 ↓

Analogs

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Popular Name: tert-butyl tert-butyl

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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) 3.16 7.1 -47.95 2 4 1 46 283.436 4 ↓
Hi High (pH 8-9.5) 3.16 6.34 -6.13 1 4 0 42 282.428 4 ↓

Analogs

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Popular Name: tert-butyl tert-butyl

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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) 3.16 7.51 -47.02 2 4 1 46 283.436 4 ↓
Hi High (pH 8-9.5) 3.16 6.59 -6.04 1 4 0 42 282.428 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: tert-butyl tert-butyl

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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) 3.16 7.3 -47.11 2 4 1 46 283.436 4 ↓
Hi High (pH 8-9.5) 3.16 6.37 -6.02 1 4 0 42 282.428 4 ↓

Parameters Provided:

ring.id = 370834
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 = 370834 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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