UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[ethyl-[(1S)-2-(4-methoxyphenyl)-1-methyl-ethyl]amino]-N-(4-methylthiazol-2-yl)acetamide 2-[ethyl-[(1S)-2-(4-methoxypheny…

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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) 3.36 8.23 -47.63 2 5 1 56 348.492 8 ↓
Hi High (pH 8-9.5) 3.36 6.67 -10.84 1 5 0 54 347.484 8 ↓

Analogs

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Popular Name: 2-[ethyl-[(1R)-2-(4-methoxyphenyl)-1-methyl-ethyl]amino]-N-(4-methylthiazol-2-yl)acetamide 2-[ethyl-[(1R)-2-(4-methoxypheny…

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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) 3.36 8.17 -45.98 2 5 1 56 348.492 8 ↓
Hi High (pH 8-9.5) 3.36 6.69 -11.23 1 5 0 54 347.484 8 ↓

Analogs

4421538
4421538
4506496
4506496

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Popular Name: (2R)-N-(4,5-dimethylthiazol-2-yl)-2-[2-(4-fluorophenyl)ethyl-methyl-amino]propanamide (2R)-N-(4,5-dimethylthiazol-2-yl…

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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) 2.94 9.7 -49.8 2 4 1 46 336.456 6 ↓
Hi High (pH 8-9.5) 2.94 7.4 -14.11 1 4 0 45 335.448 6 ↓

Analogs

4421538
4421538
4506496
4506496

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Popular Name: (2S)-N-(4,5-dimethylthiazol-2-yl)-2-[2-(4-fluorophenyl)ethyl-methyl-amino]propanamide (2S)-N-(4,5-dimethylthiazol-2-yl…

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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) 2.94 9.7 -49.75 2 4 1 46 336.456 6 ↓
Hi High (pH 8-9.5) 2.94 7.48 -14.39 1 4 0 45 335.448 6 ↓

Analogs

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Popular Name: (2S)-2-[2-(3,5-dimethoxyphenyl)ethylamino]-N-thiazol-2-yl-propanamide (2S)-2-[2-(3,5-dimethoxyphenyl)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) 2.13 5.17 -50.12 3 6 1 77 336.437 8 ↓
Mid Mid (pH 6-8) 2.13 3.94 -15.02 2 6 0 72 335.429 8 ↓

Analogs

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Popular Name: (2R)-2-[2-(3,5-dimethoxyphenyl)ethylamino]-N-thiazol-2-yl-propanamide (2R)-2-[2-(3,5-dimethoxyphenyl)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) 2.13 5.16 -50.14 3 6 1 77 336.437 8 ↓
Mid Mid (pH 6-8) 2.13 4.02 -16.4 2 6 0 72 335.429 8 ↓

Analogs

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Popular Name: ethyl 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) 2.60 7.15 -14.58 1 6 0 72 347.44 9 ↓
Mid Mid (pH 6-8) 2.60 9.04 -40.32 2 6 1 73 348.448 9 ↓

Analogs

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Popular Name: ethyl 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) 2.60 7.2 -14.48 1 6 0 72 347.44 9 ↓
Mid Mid (pH 6-8) 2.60 9.03 -39.86 2 6 1 73 348.448 9 ↓

Analogs

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Popular Name: 2-[2-(2-methoxyphenyl)ethyl-methyl-amino]-N-(4-methylthiazol-2-yl)acetamide 2-[2-(2-methoxyphenyl)ethyl-meth…

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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) 2.60 7.54 -45.16 2 5 1 56 320.438 7 ↓
Hi High (pH 8-9.5) 2.60 5.29 -10.24 1 5 0 54 319.43 7 ↓

Analogs

4955846
4955846
4457479
4457479
4457480
4457480

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Popular Name: 2-[methyl(phenethyl)amino]-N-thiazol-2-yl-acetamide 2-[methyl(phenethyl)amino]-N-thi…

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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) 2.37 7.92 -47.83 2 4 1 46 276.385 6 ↓
Mid Mid (pH 6-8) 2.19 7.29 -38.78 1 4 0 53 275.377 6 ↓

Parameters Provided:

ring.id = 31974
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 = 31974 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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