UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-phenyl-N-[(4-phenylthiazol-2-yl)methyl]methanamine 1-phenyl-N-[(4-phenylthiazol-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) 3.23 7.73 -7.74 1 2 0 25 280.396 5 ↓
Mid Mid (pH 6-8) 3.23 9.09 -44.68 2 2 1 29 281.404 5 ↓

Analogs

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Popular Name: N-[(2-chlorophenyl)methyl]-1-(4-phenylthiazol-2-yl)methanamine N-[(2-chlorophenyl)methyl]-1-(4-…

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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) 3.86 8.15 -6.64 1 2 0 25 314.841 5 ↓
Mid Mid (pH 6-8) 3.86 9.54 -40.08 2 2 1 29 315.849 5 ↓

Analogs

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Popular Name: N-[(4-chlorophenyl)methyl]-1-(4-phenylthiazol-2-yl)methanamine N-[(4-chlorophenyl)methyl]-1-(4-…

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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) 3.91 8.25 -6.88 1 2 0 25 314.841 5 ↓
Mid Mid (pH 6-8) 3.91 9.62 -49.69 2 2 1 29 315.849 5 ↓

Analogs

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Popular Name: N-[(4-fluorophenyl)methyl]-1-(4-phenylthiazol-2-yl)methanamine N-[(4-fluorophenyl)methyl]-1-(4-…

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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) 3.39 7.8 -7.54 1 2 0 25 298.386 5 ↓
Mid Mid (pH 6-8) 3.39 9.16 -50.83 2 2 1 29 299.394 5 ↓

Analogs

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Popular Name: N-[(3-chlorophenyl)methyl]-1-(4-phenylthiazol-2-yl)methanamine N-[(3-chlorophenyl)methyl]-1-(4-…

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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) 3.88 8.24 -6.83 1 2 0 25 314.841 5 ↓
Mid Mid (pH 6-8) 3.88 9.61 -47.78 2 2 1 29 315.849 5 ↓

Analogs

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Popular Name: N-[(2-fluorophenyl)methyl]-1-(4-phenylthiazol-2-yl)methanamine N-[(2-fluorophenyl)methyl]-1-(4-…

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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) 3.35 7.75 -7.55 1 2 0 25 298.386 5 ↓
Mid Mid (pH 6-8) 3.35 9.13 -41.61 2 2 1 29 299.394 5 ↓

Analogs

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Popular Name: N-[(3-fluorophenyl)methyl]-1-(4-phenylthiazol-2-yl)methanamine N-[(3-fluorophenyl)methyl]-1-(4-…

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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) 3.37 7.8 -7.5 1 2 0 25 298.386 5 ↓
Mid Mid (pH 6-8) 3.37 9.16 -48.91 2 2 1 29 299.394 5 ↓

Analogs

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Popular Name: 1-(o-tolyl)-N-[(4-phenylthiazol-2-yl)methyl]methanamine 1-(o-tolyl)-N-[(4-phenylthiazol-…

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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) 3.63 8.35 -8 1 2 0 25 294.423 5 ↓
Mid Mid (pH 6-8) 3.63 9.72 -44.03 2 2 1 29 295.431 5 ↓

Analogs

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Popular Name: N-[(4-phenylthiazol-2-yl)methyl]-1-(p-tolyl)methanamine N-[(4-phenylthiazol-2-yl)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) 3.68 8.41 -7.78 1 2 0 25 294.423 5 ↓
Mid Mid (pH 6-8) 3.68 9.77 -44.73 2 2 1 29 295.431 5 ↓

Analogs

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Popular Name: 1-(m-tolyl)-N-[(4-phenylthiazol-2-yl)methyl]methanamine 1-(m-tolyl)-N-[(4-phenylthiazol-…

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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) 3.65 8.4 -7.89 1 2 0 25 294.423 5 ↓
Mid Mid (pH 6-8) 3.65 9.76 -44.75 2 2 1 29 295.431 5 ↓

Parameters Provided:

ring.id = 179183
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 = 179183 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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