UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(3-phenylpropyl)-4,5-dihydrothiazol-2-amine N-(3-phenylpropyl)-4,5-dihydroth…

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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) 2.72 6.99 -29.02 2 2 1 26 221.349 5 ↓

Analogs

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Popular Name: (4R)-4-ethyl-N-(3-phenylpropyl)-4,5-dihydrothiazol-2-amine (4R)-4-ethyl-N-(3-phenylpropyl)-…

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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) 3.58 8.52 -27.6 2 2 1 26 249.403 6 ↓

Analogs

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Popular Name: (4S)-4-ethyl-N-(3-phenylpropyl)-4,5-dihydrothiazol-2-amine (4S)-4-ethyl-N-(3-phenylpropyl)-…

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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) 3.58 8.52 -27.62 2 2 1 26 249.403 6 ↓

Analogs

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Popular Name: 4,4-dimethyl-N-(3-phenylpropyl)-5H-thiazol-2-amine 4,4-dimethyl-N-(3-phenylpropyl)-…

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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) 3.53 8.36 -26.76 2 2 1 26 249.403 5 ↓

Analogs

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Popular Name: (4R)-4-methyl-N-(3-phenylpropyl)-4,5-dihydrothiazol-2-amine (4R)-4-methyl-N-(3-phenylpropyl)…

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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) 3.05 7.73 -28.07 2 2 1 26 235.376 5 ↓

Analogs

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Popular Name: (4S)-4-methyl-N-(3-phenylpropyl)-4,5-dihydrothiazol-2-amine (4S)-4-methyl-N-(3-phenylpropyl)…

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Activity (Go SEA)

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) 3.05 7.71 -27.73 2 2 1 26 235.376 5 ↓

Parameters Provided:

ring.id = 573796
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 = 573796 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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