UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

16599878
16599878
16599879
16599879

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Popular Name: 2-(3,4-dimethoxyphenyl)-N-[(2S)-2-dimethylamino-2-(3-methoxyphenyl)ethyl]-4-methyl-thiazole-5-carbox 2-(3,4-dimethoxyphenyl)-N-[(2S)-…

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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) 3.73 8.72 -50.02 2 7 1 74 456.588 9 ↓
Hi High (pH 8-9.5) 3.73 6.61 -12.41 1 7 0 73 455.58 9 ↓

Analogs

16599878
16599878
16599879
16599879

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Popular Name: 2-(3,4-dimethoxyphenyl)-N-[(2R)-2-dimethylamino-2-(3-methoxyphenyl)ethyl]-4-methyl-thiazole-5-carbox 2-(3,4-dimethoxyphenyl)-N-[(2R)-…

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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) 3.73 9.14 -53.73 2 7 1 74 456.588 9 ↓
Hi High (pH 8-9.5) 3.73 6.88 -13.79 1 7 0 73 455.58 9 ↓

Analogs

20733932
20733932

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Popular Name: (2S)-2-[(4-methyl-2-phenyl-thiazole-5-carbonyl)amino]-3-phenyl-propanoic (2S)-2-[(4-methyl-2-phenyl-thiaz…

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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) 2.02 9.21 -56.19 1 5 -1 82 365.434 6 ↓

Analogs

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Popular Name: (2S)-2-[[2-(3-chlorophenyl)-4-methyl-thiazole-5-carbonyl]amino]-3-phenyl-propanoic (2S)-2-[[2-(3-chlorophenyl)-4-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) 2.68 9.72 -55.72 1 5 -1 82 399.879 6 ↓

Analogs

20733932
20733932

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Popular Name: (2S)-2-[[2-(4-ethylphenyl)-4-methyl-thiazole-5-carbonyl]amino]-3-phenyl-propanoic (2S)-2-[[2-(4-ethylphenyl)-4-met…

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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 10.65 -55.53 1 5 -1 82 393.488 7 ↓

Analogs

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Popular Name: (2S)-2-[[2-(4-methoxyphenyl)-4-methyl-thiazole-5-carbonyl]amino]-3-phenyl-propanoic (2S)-2-[[2-(4-methoxyphenyl)-4-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) 2.08 8.52 -56.37 1 6 -1 91 395.46 7 ↓

Analogs

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Popular Name: (2S)-2-[[2-(3,4-dimethoxyphenyl)-4-methyl-thiazole-5-carbonyl]amino]-3-phenyl-propanoic (2S)-2-[[2-(3,4-dimethoxyphenyl)…

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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) 1.67 8.44 -57.58 1 7 -1 101 425.486 8 ↓

Analogs

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Popular Name: (2S)-2-[2-cyanoethyl-(4-methyl-2-phenyl-thiazole-5-carbonyl)amino]-3-phenyl-propanoic (2S)-2-[2-cyanoethyl-(4-methyl-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) 1.72 11.32 -49.95 0 6 -1 97 418.498 8 ↓

Analogs

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Popular Name: (2S)-2-[[2-(3-chlorophenyl)-4-methyl-thiazole-5-carbonyl]-(2-cyanoethyl)amino]-3-phenyl-propanoic (2S)-2-[[2-(3-chlorophenyl)-4-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) 2.38 11.93 -45.17 0 6 -1 97 452.943 8 ↓

Analogs

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Popular Name: (2S)-2-[2-cyanoethyl-[2-(4-ethylphenyl)-4-methyl-thiazole-5-carbonyl]amino]-3-phenyl-propanoic (2S)-2-[2-cyanoethyl-[2-(4-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) 2.64 12.76 -49.49 0 6 -1 97 446.552 9 ↓

Analogs

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Popular Name: (2S)-2-[2-cyanoethyl-[2-(4-methoxyphenyl)-4-methyl-thiazole-5-carbonyl]amino]-3-phenyl-propanoic (2S)-2-[2-cyanoethyl-[2-(4-metho…

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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) 1.78 10.62 -49.98 0 7 -1 106 448.524 9 ↓

Analogs

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Popular Name: (2S)-2-[2-cyanoethyl-[2-(3,4-dimethoxyphenyl)-4-methyl-thiazole-5-carbonyl]amino]-3-phenyl-propanoic (2S)-2-[2-cyanoethyl-[2-(3,4-dim…

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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) 1.37 10.65 -47.36 0 8 -1 116 478.55 10 ↓

Analogs

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Popular Name: 2-(2-fluorophenyl)-N-[2-(m-tolyl)ethyl]thiazole-5-carboxamide 2-(2-fluorophenyl)-N-[2-(m-tolyl…

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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) 4.56 9.24 -14.43 1 3 0 42 340.423 5 ↓

Analogs

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Popular Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)-N,4-dimethyl-thiazole-5-carboxamide N-[2-(3,4-dimethoxyphenyl)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) 4.19 9.23 -15.83 0 6 0 61 426.538 8 ↓

Analogs

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Popular Name: (2S)-2-[[2-(3-fluorophenyl)-4-methyl-thiazole-5-carbonyl]amino]-3-phenyl-propanoic (2S)-2-[[2-(3-fluorophenyl)-4-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) 2.16 10.09 -55.53 1 5 -1 82 383.424 6 ↓

Parameters Provided:

ring.id = 92178
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 = 92178 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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