UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[(1S)-3-(4-bromophenyl)-1-methyl-propyl]thiadiazole-4-carboxamide N-[(1S)-3-(4-bromophenyl)-1-meth…

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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) 3.42 6.04 -7.62 1 4 0 55 340.246 5 ↓

Analogs

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Popular Name: N-[(1R)-3-(4-bromophenyl)-1-methyl-propyl]thiadiazole-4-carboxamide N-[(1R)-3-(4-bromophenyl)-1-meth…

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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) 3.42 6.04 -7.64 1 4 0 55 340.246 5 ↓

Analogs

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Popular Name: N-[3-(3,4-dichlorophenyl)propyl]thiadiazole-4-carboxamide N-[3-(3,4-dichlorophenyl)propyl]…

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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) 3.57 5.39 -9.13 1 4 0 55 316.213 5 ↓

Analogs

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Popular Name: N-[(1S)-1,3-dimethyl-3-phenyl-butyl]thiadiazole-4-carboxamide N-[(1S)-1,3-dimethyl-3-phenyl-bu…

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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) 3.34 6.74 -7.09 1 4 0 55 289.404 5 ↓

Analogs

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Popular Name: N-[(1R)-1,3-dimethyl-3-phenyl-butyl]thiadiazole-4-carboxamide N-[(1R)-1,3-dimethyl-3-phenyl-bu…

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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) 3.34 6.73 -7.11 1 4 0 55 289.404 5 ↓

Analogs

37140298
37140298
37140299
37140299

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Popular Name: N-[(1S)-1-methyl-3-phenyl-propyl]thiadiazole-4-carboxamide N-[(1S)-1-methyl-3-phenyl-propyl…

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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) 2.61 5.42 -7.35 1 4 0 55 261.35 5 ↓

Analogs

37140298
37140298
37140299
37140299

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-methyl-3-phenyl-propyl]thiadiazole-4-carboxamide N-[(1R)-1-methyl-3-phenyl-propyl…

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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) 2.61 5.42 -7.35 1 4 0 55 261.35 5 ↓

Analogs

37140298
37140298
37140299
37140299

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Popular Name: N-[(1S)-3-(4-methoxyphenyl)-1-methyl-propyl]thiadiazole-4-carboxamide N-[(1S)-3-(4-methoxyphenyl)-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) 2.67 4.72 -8.9 1 5 0 64 291.376 6 ↓

Analogs

37140298
37140298
37140299
37140299

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-3-(4-methoxyphenyl)-1-methyl-propyl]thiadiazole-4-carboxamide N-[(1R)-3-(4-methoxyphenyl)-1-me…

Find On: PubMed — Wikipedia — Google

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) 2.67 4.72 -8.94 1 5 0 64 291.376 6 ↓

Parameters Provided:

ring.id = 296210
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 = 296210 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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