UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1,2,3-Thiadiazole-4-carboxamide, N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2-methoxyphenyl)- (9CI) 1,2,3-Thiadiazole-4-carboxamide,…

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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) 2.92 7.22 -13.38 1 7 0 84 360.439 6 ↓

Analogs

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Popular Name: 1,2,3-Thiadiazole-4-carboxamide, N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-methoxyphenyl)- (9CI) 1,2,3-Thiadiazole-4-carboxamide,…

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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) 2.94 -1.3 -15.85 1 7 0 84 360.439 6 ↓

Analogs

4890015
4890015
39981691
39981691

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Popular Name: 1,2,3-Thiadiazole-4-carboxamide, N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-methoxyphenyl)- (9CI) 1,2,3-Thiadiazole-4-carboxamide,…

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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) 2.97 5.42 -13.66 1 7 0 84 360.439 6 ↓

Analogs

4890219
4890219

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Popular Name: 1,2,3-Thiadiazole-4-carboxamide, N-[2-(cyclopentylamino)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]- (9CI) 1,2,3-Thiadiazole-4-carboxamide,…

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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) 3.78 7.16 -14.73 1 6 0 75 398.41 6 ↓

Analogs

4964747
4964747

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Popular Name: 1,2,3-Thiadiazole-4-carboxamide, N-(3-chlorophenyl)-N-[2-(cyclopentylamino)-2-oxoethyl]- (9CI) 1,2,3-Thiadiazole-4-carboxamide,…

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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 6.65 -11.81 1 6 0 75 364.858 5 ↓

Analogs

4890138
4890138
4890141
4890141
4964716
4964716
4964762
4964762
15935351
15935351

Draw Identity 99% 90% 80% 70%

Popular Name: 1,2,3-Thiadiazole-4-carboxamide, N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-fluorophenyl)- (9CI) 1,2,3-Thiadiazole-4-carboxamide,…

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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) 3.08 -0.54 -13.64 1 6 0 75 348.403 5 ↓

Analogs

4890063
4890063
4890115
4890115
4890130
4890130
4890135
4890135
4964748
4964748

Draw Identity 99% 90% 80% 70%

Popular Name: 1,2,3-Thiadiazole-4-carboxamide, N-[2-(cyclopentylamino)-2-oxoethyl]-N-phenyl- (9CI) 1,2,3-Thiadiazole-4-carboxamide,…

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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 -1.26 -14.21 1 6 0 75 330.413 5 ↓

Analogs

4890087
4890087
4890106
4890106
33584082
33584082

Draw Identity 99% 90% 80% 70%

Popular Name: 1,2,3-Thiadiazole-4-carboxamide, N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2-methylphenyl)- (9CI) 1,2,3-Thiadiazole-4-carboxamide,…

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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) 3.31 7.5 -13.48 1 6 0 75 344.44 5 ↓

Analogs

4890087
4890087
4890130
4890130
4890015
4890015

Draw Identity 99% 90% 80% 70%

Popular Name: 1,2,3-Thiadiazole-4-carboxamide, N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-methylphenyl)- (9CI) 1,2,3-Thiadiazole-4-carboxamide,…

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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 -0.57 -13.65 1 6 0 75 344.44 5 ↓

Analogs

4890103
4890103
4890115
4890115
4890117
4890117
4890130
4890130
4890135
4890135

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Popular Name: 1,2,3-Thiadiazole-4-carboxamide, N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-methylphenyl)- (9CI) 1,2,3-Thiadiazole-4-carboxamide,…

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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) 3.36 -0.96 -14.19 1 6 0 75 344.44 5 ↓

Analogs

4890106
4890106
4890087
4890087

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Popular Name: 1,2,3-Thiadiazole-4-carboxamide, N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,4-dimethylphenyl)- (9CI) 1,2,3-Thiadiazole-4-carboxamide,…

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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) 3.74 0.29 -13.07 1 6 0 75 358.467 5 ↓

Analogs

4890106
4890106

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Popular Name: 1,2,3-Thiadiazole-4-carboxamide, N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,5-dimethylphenyl)- (9CI) 1,2,3-Thiadiazole-4-carboxamide,…

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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) 3.74 8.14 -13.79 1 6 0 75 358.467 5 ↓

Analogs

33889158
33889158
33930167
33930167
4890015
4890015
4890087
4890087
4890088
4890088

Draw Identity 99% 90% 80% 70%

Popular Name: 1,2,3-Thiadiazole-4-carboxamide, N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3,4-dimethylphenyl)- (9CI) 1,2,3-Thiadiazole-4-carboxamide,…

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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) 3.74 -0.38 -14.07 1 6 0 75 358.467 5 ↓

Analogs

4890015
4890015
4890063
4890063
4890087
4890087

Draw Identity 99% 90% 80% 70%

Popular Name: 1,2,3-Thiadiazole-4-carboxamide, N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3,5-dimethylphenyl)- (9CI) 1,2,3-Thiadiazole-4-carboxamide,…

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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) 3.74 7.8 -13.5 1 6 0 75 358.467 5 ↓

Analogs

4964707
4964707
33930167
33930167
39981480
39981480
4890015
4890015
4890087
4890087

Draw Identity 99% 90% 80% 70%

Popular Name: 1,2,3-Thiadiazole-4-carboxamide, N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-ethylphenyl)- (9CI) 1,2,3-Thiadiazole-4-carboxamide,…

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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) 3.83 -0.8 -13.96 1 6 0 75 358.467 6 ↓

Analogs

4964577
4964577
4964744
4964744
4889866
4889866
4889997
4889997

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopentylcarbamoylmethyl)-N-(3-fluorophenyl)-thiadiazole-4-carboxamide N-(cyclopentylcarbamoylmethyl)-N…

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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 6.2 -12.18 1 6 0 75 348.403 5 ↓

Parameters Provided:

ring.id = 225113
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 = 225113 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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