UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]thiazol-2-yl]acetamide N-[4-[[4-(3-chlorophenyl)piperaz…

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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) 2.50 5.67 -10.37 1 5 0 48 350.875 4 ↓

Analogs

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Popular Name: 2-ethyl-4-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]thiazole 2-ethyl-4-[[4-(3-methoxyphenyl)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) 2.82 6.24 -7.84 0 4 0 29 317.458 5 ↓
Mid Mid (pH 6-8) 2.82 8.49 -39.38 1 4 1 30 318.466 5 ↓

Analogs

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Popular Name: 4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]thiazol-2-amine 4-[[4-(2-methoxyphenyl)piperazin…

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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) 2.12 6.52 -34.8 3 5 1 56 305.427 4 ↓
Mid Mid (pH 6-8) 2.12 4.29 -7.79 2 5 0 55 304.419 4 ↓
Mid Mid (pH 6-8) 2.12 6.63 -101.12 4 5 2 57 306.435 4 ↓

Analogs

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Popular Name: 4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]thiazol-2-amine 4-[[4-(2-chlorophenyl)piperazin-…

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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 7.52 -31.45 3 4 1 47 309.846 3 ↓
Mid Mid (pH 6-8) 2.74 5.3 -6.02 2 4 0 45 308.838 3 ↓
Mid Mid (pH 6-8) 2.74 6.02 -28.03 3 4 1 47 309.846 3 ↓

Analogs

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Popular Name: 4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]thiazol-2-amine 4-[[4-(3-chlorophenyl)piperazin-…

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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) 2.76 7.23 -38.63 3 4 1 47 309.846 3 ↓
Mid Mid (pH 6-8) 2.76 5 -6.3 2 4 0 45 308.838 3 ↓
Mid Mid (pH 6-8) 2.76 5.12 -31.51 3 4 1 47 309.846 3 ↓

Analogs

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Popular Name: 4-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-thiazol-2-amine 4-{[4-(4-fluorophenyl)piperazin-…

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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) 2.27 6.79 -41.25 3 4 1 47 293.391 3 ↓
Mid Mid (pH 6-8) 2.27 4.56 -7.16 2 4 0 45 292.383 3 ↓
Mid Mid (pH 6-8) 2.27 6.89 -109.42 4 4 2 48 294.399 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]thiazol-2-amine 4-[[4-(3-methoxyphenyl)piperazin…

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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) 2.14 6.02 -38.42 3 5 1 56 305.427 4 ↓
Mid Mid (pH 6-8) 2.14 3.78 -8.56 2 5 0 55 304.419 4 ↓
Mid Mid (pH 6-8) 2.14 6.12 -105.73 4 5 2 57 306.435 4 ↓

Analogs

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Popular Name: 4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]thiazol-2-amine 4-[[4-(2,3-dimethylphenyl)pipera…

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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 6.05 -6.12 2 4 0 45 302.447 3 ↓
Mid Mid (pH 6-8) 2.91 6.77 -29.51 3 4 1 47 303.455 3 ↓
Mid Mid (pH 6-8) 2.91 6.05 -31.8 3 4 1 47 303.455 3 ↓

Parameters Provided:

ring.id = 27660
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 = 27660 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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