UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-[(2-methoxyphenyl)methyl]-1-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea 1-[(2-methoxyphenyl)methyl]-1-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) 1.70 5.72 -9.14 1 6 0 67 292.364 4 ↓

Analogs

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Popular Name: 1-[(1S)-1-(4-fluorophenyl)ethyl]-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea 1-[(1S)-1-(4-fluorophenyl)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) 2.17 4.77 -9.89 2 5 0 67 280.328 3 ↓

Analogs

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Popular Name: 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea 1-[(1R)-1-(4-fluorophenyl)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) 2.17 4.77 -9.91 2 5 0 67 280.328 3 ↓

Analogs

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Popular Name: 1-[(2,5-dimethoxyphenyl)methyl]-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea 1-[(2,5-dimethoxyphenyl)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) 1.49 2.46 -10.31 2 7 0 85 308.363 5 ↓

Analogs

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Popular Name: 1-[[3-(dimethylaminomethyl)phenyl]methyl]-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea 1-[[3-(dimethylaminomethyl)pheny…

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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) 1.23 5.74 -45.52 3 6 1 71 306.415 5 ↓
Hi High (pH 8-9.5) 1.23 3.27 -8.42 2 6 0 70 305.407 5 ↓

Parameters Provided:

ring.id = 387553
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 = 387553 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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