UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

15256232
15256232
15260103
15260103

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Popular Name: 2-[benzyl(isopropyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide 2-[benzyl(isopropyl)amino]-N-[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) 3.47 9.32 -45.67 2 5 1 52 371.501 10 ↓
Hi High (pH 8-9.5) 3.47 7.56 -14.54 1 5 0 51 370.493 10 ↓

Analogs

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Popular Name: 2-[(3-chlorophenyl)methyl-methyl-amino]-N-[2-(4-fluorophenyl)ethyl]acetamide 2-[(3-chlorophenyl)methyl-methyl…

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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) 3.97 9.98 -49.96 2 3 1 34 335.83 7 ↓
Hi High (pH 8-9.5) 3.97 7.74 -12.27 1 3 0 32 334.822 7 ↓

Analogs

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Popular Name: (4-bromobenzyl)-[2-[2-(4-chlorophenyl)ethylamino]-2-keto-ethyl]-methyl-ammonium (4-bromobenzyl)-[2-[2-(4-chlorop…

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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) 4.64 -0.52 -50.28 2 3 1 33 396.736 7 ↓

Analogs

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Popular Name: N-[2-(4-chlorophenyl)ethyl]-2-(methyl-(o-tolylmethyl)amino)acetamide N-[2-(4-chlorophenyl)ethyl]-2-(m…

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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) 4.23 10.56 -45.56 2 3 1 34 331.867 7 ↓
Hi High (pH 8-9.5) 4.23 8.37 -11.01 1 3 0 32 330.859 7 ↓

Analogs

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Popular Name: N-[2-(4-chlorophenyl)ethyl]-2-[[4-(difluoromethoxy)phenyl]methyl-methyl-amino]acetamide N-[2-(4-chlorophenyl)ethyl]-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) 4.44 9.49 -50.96 2 4 1 43 383.846 9 ↓
Mid Mid (pH 6-8) 4.44 7.26 -14.61 1 4 0 42 382.838 9 ↓

Analogs

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Popular Name: N-[2-(4-chlorophenyl)ethyl]-2-[(2-chlorophenyl)methyl-methyl-amino]acetamide N-[2-(4-chlorophenyl)ethyl]-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) 4.46 10.44 -42.8 2 3 1 34 352.285 7 ↓
Mid Mid (pH 6-8) 4.46 7.82 -11.55 1 3 0 32 351.277 7 ↓

Analogs

3584153
3584153
13062763
13062763
15351741
15351741

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Popular Name: 2-[(3,4-dimethoxyphenyl)methyl-methyl-amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide 2-[(3,4-dimethoxyphenyl)methyl-m…

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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) 1.49 3.62 -61.24 4 8 1 112 422.527 10 ↓

Analogs

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Popular Name: 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide 2-[[(1R)-1-(2-chlorophenyl)ethyl…

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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) 4.15 6.98 -10.81 2 4 0 50 346.858 8 ↓

Analogs

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Popular Name: 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-[2-(4-fluorophenyl)ethyl]acetamide 2-[[(1S)-1-(2-chlorophenyl)ethyl…

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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) 4.26 7.59 -10.16 2 3 0 41 334.822 7 ↓
Lo Low (pH 4.5-6) 4.26 8.73 -46.03 3 3 1 46 335.83 7 ↓

Analogs

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Popular Name: 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-[2-(4-fluorophenyl)ethyl]acetamide 2-[[(1R)-1-(2-chlorophenyl)ethyl…

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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) 4.26 7.74 -10.39 2 3 0 41 334.822 7 ↓
Lo Low (pH 4.5-6) 4.26 8.73 -45.82 3 3 1 46 335.83 7 ↓

Analogs

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Popular Name: N-[2-(4-fluorophenyl)ethyl]-2-[[(1S)-1-(hydroxymethyl)-1-phenyl-propyl]amino]acetamide N-[2-(4-fluorophenyl)ethyl]-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) 3.57 5.02 -13.62 3 4 0 61 344.43 9 ↓
Mid Mid (pH 6-8) 3.57 6.24 -44.52 4 4 1 66 345.438 9 ↓

Analogs

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Popular Name: N-[2-(4-fluorophenyl)ethyl]-2-[[(1R)-1-(hydroxymethyl)-1-phenyl-propyl]amino]acetamide N-[2-(4-fluorophenyl)ethyl]-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) 3.57 5.07 -13.93 3 4 0 61 344.43 9 ↓
Mid Mid (pH 6-8) 3.57 6.23 -44.7 4 4 1 66 345.438 9 ↓

Analogs

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Popular Name: acetamide, 2-[[(2-chlorophenyl)methyl]amino]-N-(2-phenylethyl)- acetamide, 2-[[(2-chlorophenyl)m…

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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 6.65 -10.83 2 3 0 41 302.805 7 ↓
Lo Low (pH 4.5-6) 3.54 8.03 -44.57 3 3 1 46 303.813 7 ↓

Analogs

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Popular Name: acetamide, 2-[methyl(phenylmethyl)amino]-N-(2-phenylethyl)- acetamide, 2-[methyl(phenylmethy…

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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) 3.15 9.4 -43.77 2 3 1 34 283.395 7 ↓
Hi High (pH 8-9.5) 3.15 7.16 -10.54 1 3 0 32 282.387 7 ↓

Analogs

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Popular Name: acetamide, N-(2-phenylethyl)-2-[(phenylmethyl)amino]- acetamide, N-(2-phenylethyl)-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) 2.91 6.23 -10.32 2 3 0 41 268.36 7 ↓
Mid Mid (pH 6-8) 2.91 7.59 -47.89 3 3 1 46 269.368 7 ↓

Parameters Provided:

ring.id = 21794
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 = 21794 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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