UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2R)-2-amino-N-(2-cyclohexylethyl)-2-phenyl-propanamide (2R)-2-amino-N-(2-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) 3.60 6 -7.87 3 3 0 55 274.408 5 ↓
Mid Mid (pH 6-8) 3.60 6.25 -52.02 4 3 1 57 275.416 5 ↓

Analogs

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Popular Name: (2S)-2-amino-N-(2-cyclohexylethyl)-2-phenyl-propanamide (2S)-2-amino-N-(2-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) 3.60 5.93 -6.72 3 3 0 55 274.408 5 ↓
Mid Mid (pH 6-8) 3.60 6.25 -51.95 4 3 1 57 275.416 5 ↓

Analogs

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Popular Name: 2-(3-aminophenyl)-N-(2-cyclohexylethyl)acetamide 2-(3-aminophenyl)-N-(2-cyclohexy…

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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) 3.02 6.11 -9.36 3 3 0 55 260.381 5 ↓

Analogs

53140104
53140104
53140107
53140107
53140111
53140111
53140114
53140114
53144786
53144786

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Popular Name: N-[(2R)-2-cyclohexyl-2-hydroxy-ethyl]-2-(m-tolyl)acetamide N-[(2R)-2-cyclohexyl-2-hydroxy-e…

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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) 3.29 5.68 -8.27 2 3 0 49 275.392 5 ↓

Analogs

53140104
53140104
53140107
53140107
53140111
53140111
53140114
53140114
53144786
53144786

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Popular Name: N-[(2S)-2-cyclohexyl-2-hydroxy-ethyl]-2-(m-tolyl)acetamide N-[(2S)-2-cyclohexyl-2-hydroxy-e…

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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) 3.29 5.82 -8.25 2 3 0 49 275.392 5 ↓

Analogs

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Popular Name: 2-(4-chlorophenyl)-N-[(2R)-2-cyclohexyl-2-hydroxy-ethyl]acetamide 2-(4-chlorophenyl)-N-[(2R)-2-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) 3.54 5.54 -8.37 2 3 0 49 295.81 5 ↓

Analogs

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Popular Name: 2-(4-chlorophenyl)-N-[(2S)-2-cyclohexyl-2-hydroxy-ethyl]acetamide 2-(4-chlorophenyl)-N-[(2S)-2-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) 3.54 5.67 -8.33 2 3 0 49 295.81 5 ↓

Analogs

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Popular Name: N-[(2R)-2-cyclohexyl-2-hydroxy-ethyl]-2-(4-fluorophenyl)acetamide N-[(2R)-2-cyclohexyl-2-hydroxy-e…

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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) 3.03 5.08 -9.07 2 3 0 49 279.355 5 ↓

Analogs

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Popular Name: N-[(2S)-2-cyclohexyl-2-hydroxy-ethyl]-2-(4-fluorophenyl)acetamide N-[(2S)-2-cyclohexyl-2-hydroxy-e…

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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) 3.03 5.22 -8.98 2 3 0 49 279.355 5 ↓

Analogs

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Popular Name: N-[(2R)-2-cyclohexyl-2-hydroxy-ethyl]-2-(3-methoxyphenyl)acetamide N-[(2R)-2-cyclohexyl-2-hydroxy-e…

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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) 2.90 4.32 -9.97 2 4 0 59 291.391 6 ↓

Analogs

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Popular Name: N-[(2S)-2-cyclohexyl-2-hydroxy-ethyl]-2-(3-methoxyphenyl)acetamide N-[(2S)-2-cyclohexyl-2-hydroxy-e…

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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) 2.90 4.45 -9.88 2 4 0 59 291.391 6 ↓

Analogs

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Popular Name: 2-(2-chlorophenyl)-N-[(2R)-2-cyclohexyl-2-hydroxy-ethyl]acetamide 2-(2-chlorophenyl)-N-[(2R)-2-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) 3.50 5.68 -7.9 2 3 0 49 295.81 5 ↓

Analogs

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Popular Name: 2-(2-chlorophenyl)-N-[(2S)-2-cyclohexyl-2-hydroxy-ethyl]acetamide 2-(2-chlorophenyl)-N-[(2S)-2-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) 3.50 5.59 -7.94 2 3 0 49 295.81 5 ↓

Parameters Provided:

ring.id = 30506
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 = 30506 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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