UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4421426
4421426

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Popular Name: 2-[(2,4-dichlorophenyl)methyl-methyl-amino]-N-thiazol-2-yl-acetamide 2-[(2,4-dichlorophenyl)methyl-me…

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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) 3.25 5.9 -14.89 1 4 0 45 330.24 5 ↓

Analogs

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Popular Name: 2-[benzyl(methyl)amino]-N-[5-(cyanomethylsulfanyl)-4-methyl-thiazol-2-yl]acetamide 2-[benzyl(methyl)amino]-N-[5-(cy…

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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) 2.69 9.35 -54.8 2 5 1 70 347.489 7 ↓
Mid Mid (pH 6-8) 2.69 7.1 -12.67 1 5 0 69 346.481 7 ↓

Analogs

6273749
6273749
4373613
4373613
4605743
4605743

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Popular Name: 2-[(4-ethoxy-3-methoxy-phenyl)methyl-methyl-amino]-N-thiazol-2-yl-acetamide 2-[(4-ethoxy-3-methoxy-phenyl)me…

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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) 1.99 7.19 -56.27 2 6 1 65 336.437 8 ↓
Mid Mid (pH 6-8) 1.99 4.94 -19.19 1 6 0 64 335.429 8 ↓

Analogs

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Popular Name: 2-[[4-(difluoromethoxy)-3-methoxy-phenyl]methyl-methyl-amino]-N-thiazol-2-yl-acetamide 2-[[4-(difluoromethoxy)-3-methox…

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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) 2.17 6.56 -57.83 2 6 1 65 358.39 8 ↓
Mid Mid (pH 6-8) 2.17 4.31 -20.44 1 6 0 64 357.382 8 ↓

Analogs

15862778
15862778

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Popular Name: 2-[(4-fluorophenyl)methyl-methyl-amino]-N-thiazol-2-yl-acetamide 2-[(4-fluorophenyl)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) 2.13 7.14 -54.72 2 4 1 46 280.348 5 ↓
Mid Mid (pH 6-8) 1.95 6.5 -41.95 1 4 0 53 279.34 5 ↓

Analogs

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Popular Name: 2-[(3-allyl-4-ethoxy-phenyl)methylamino]-N-thiazol-2-yl-acetamide 2-[(3-allyl-4-ethoxy-phenyl)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) 2.91 6.17 -15.88 2 5 0 63 331.441 9 ↓
Mid Mid (pH 6-8) 2.91 7.52 -56.12 3 5 1 68 332.449 9 ↓

Analogs

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Popular Name: 2-[[2-(2-methylallyloxy)phenyl]methylamino]-N-thiazol-2-yl-acetamide 2-[[2-(2-methylallyloxy)phenyl]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) 2.92 6.95 -49.12 3 5 1 68 318.422 8 ↓
Mid Mid (pH 6-8) 2.92 5.58 -15.23 2 5 0 63 317.414 8 ↓

Analogs

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Popular Name: 2-[(4-fluorophenyl)methyl-prop-2-ynyl-amino]-N-thiazol-2-yl-acetamide 2-[(4-fluorophenyl)methyl-prop-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) 2.29 6.27 -15.88 1 4 0 45 303.362 6 ↓
Lo Low (pH 4.5-6) 2.29 8.35 -51.32 2 4 1 46 304.37 6 ↓

Analogs

33895916
33895916

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Popular Name: 2-[methyl-[(1S)-1-phenylethyl]amino]-N-(4-methylthiazol-2-yl)acetamide 2-[methyl-[(1S)-1-phenylethyl]am…

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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) 2.75 7.99 -41.25 2 4 1 46 290.412 5 ↓
Mid Mid (pH 6-8) 2.57 7.37 -33.74 1 4 0 53 289.404 5 ↓

Analogs

33895916
33895916

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Popular Name: 2-[methyl-[(1R)-1-phenylethyl]amino]-N-(4-methylthiazol-2-yl)acetamide 2-[methyl-[(1R)-1-phenylethyl]am…

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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) 2.75 7.97 -41.22 2 4 1 46 290.412 5 ↓
Mid Mid (pH 6-8) 2.57 7.38 -33.69 1 4 0 53 289.404 5 ↓

Analogs

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Popular Name: 4-[[methyl-[2-oxo-2-(thiazol-2-ylamino)ethyl]amino]methyl]benzoic 4-[[methyl-[2-oxo-2-(thiazol-2-y…

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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 7.64 -90.37 2 6 0 87 305.359 6 ↓
Mid Mid (pH 6-8) 1.70 7 -84.61 1 6 -1 93 304.351 6 ↓

Analogs

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Popular Name: 2-[[(1S)-1-(3-chlorophenyl)ethyl]-methyl-amino]-N-(4-methylthiazol-2-yl)acetamide 2-[[(1S)-1-(3-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) 3.40 8.5 -44.26 2 4 1 46 324.857 5 ↓
Mid Mid (pH 6-8) 3.40 6.48 -9.52 1 4 0 45 323.849 5 ↓

Analogs

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Popular Name: 2-[[(1S)-2,2-dimethyl-1-phenyl-propyl]amino]-N-(4-methylthiazol-2-yl)acetamide 2-[[(1S)-2,2-dimethyl-1-phenyl-p…

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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) 3.83 7 -8.43 2 4 0 54 317.458 6 ↓
Mid Mid (pH 6-8) 3.83 7.81 -44.33 3 4 1 59 318.466 6 ↓

Analogs

39384995
39384995

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Popular Name: 2-[ethyl(o-tolylmethyl)amino]-N-thiazol-2-yl-acetamide 2-[ethyl(o-tolylmethyl)amino]-N-…

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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) 2.74 8.37 -43.41 2 4 1 46 290.412 6 ↓
Mid Mid (pH 6-8) 2.56 7.75 -36.17 1 4 0 53 289.404 6 ↓

Analogs

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Popular Name: 2-[ethyl(m-tolylmethyl)amino]-N-thiazol-2-yl-acetamide 2-[ethyl(m-tolylmethyl)amino]-N-…

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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) 2.77 8.42 -44.15 2 4 1 46 290.412 6 ↓
Mid Mid (pH 6-8) 2.59 7.78 -36.99 1 4 0 53 289.404 6 ↓

Analogs

33586276
33586276

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Popular Name: 2-[(2-chlorophenyl)methyl-ethyl-amino]-N-thiazol-2-yl-acetamide 2-[(2-chlorophenyl)methyl-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) 2.97 8.25 -44.05 2 4 1 46 310.83 6 ↓
Hi High (pH 8-9.5) 2.97 5.63 -14.89 1 4 0 45 309.822 6 ↓
Hi High (pH 8-9.5) 2.79 4.68 -43.62 0 4 -1 52 308.814 6 ↓

Parameters Provided:

ring.id = 25579
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 = 25579 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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