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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: 2-(cyclobutylamino)-2-phenylethan-1-ol 2-(cyclobutylamino)-2-phenyletha…

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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) 1.71 4.04 -33.71 3 2 1 37 192.282 4 ↓

Analogs

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Popular Name: 2-(cyclobutylamino)-2-phenylethan-1-ol 2-(cyclobutylamino)-2-phenyletha…

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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) 1.71 3.88 -34.15 3 2 1 37 192.282 4 ↓

Analogs

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Popular Name: 4-[(cyclobutylamino)methyl]-2-fluoro-aniline 4-[(cyclobutylamino)methyl]-2-fl…

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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) 1.73 4.49 -39.18 4 2 1 43 195.261 3 ↓

Analogs

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Popular Name: (3R)-3-(cyclobutylamino)-3-phenyl-propanenitrile (3R)-3-(cyclobutylamino)-3-pheny…

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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) 0.90 7.29 -42.33 2 2 1 40 201.293 4 ↓
Hi High (pH 8-9.5) 0.90 6.32 -5.73 1 2 0 36 200.285 4 ↓

Analogs

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Popular Name: (3S)-3-(cyclobutylamino)-3-phenyl-propanenitrile (3S)-3-(cyclobutylamino)-3-pheny…

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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) 0.90 7.53 -41.34 2 2 1 40 201.293 4 ↓
Hi High (pH 8-9.5) 0.90 6.56 -6.57 1 2 0 36 200.285 4 ↓

Analogs

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Popular Name: N-[(1S)-2,2,2-trifluoro-1-phenyl-ethyl]cyclobutanamine N-[(1S)-2,2,2-trifluoro-1-phenyl…

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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) 3.27 6.27 -2.56 1 1 0 12 229.245 4 ↓
Mid Mid (pH 6-8) 3.27 7.41 -34.88 2 1 1 17 230.253 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2,2,2-trifluoro-1-phenyl-ethyl]cyclobutanamine N-[(1R)-2,2,2-trifluoro-1-phenyl…

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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) 3.27 6.25 -2.99 1 1 0 12 229.245 4 ↓
Mid Mid (pH 6-8) 3.27 7.44 -34.98 2 1 1 17 230.253 4 ↓

Parameters Provided:

ring.id = 330809
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 = 330809 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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