UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4965187
4965187
4965188
4965188
4965189
4965189
4965190
4965190

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Popular Name: N-[(1S)-2-(cyclopentylamino)-2-keto-1-phenyl-ethyl]-N-cyclopropyl-thiadiazole-4-carboxamide N-[(1S)-2-(cyclopentylamino)-2-k…

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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) 2.66 -1.85 -9.55 1 6 0 75 370.478 6 ↓

Analogs

4965187
4965187
4965188
4965188
4965189
4965189
4965190
4965190

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Popular Name: N-[(1R)-2-(cyclopentylamino)-2-keto-1-phenyl-ethyl]-N-cyclopropyl-thiadiazole-4-carboxamide N-[(1R)-2-(cyclopentylamino)-2-k…

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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) 2.66 -0.78 -10.07 1 6 0 75 370.478 6 ↓

Analogs

4965033
4965033
4965036
4965036

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Popular Name: N-[(1S)-2-(cyclopentylamino)-2-keto-1-(p-tolyl)ethyl]-N-cyclopropyl-thiadiazole-4-carboxamide N-[(1S)-2-(cyclopentylamino)-2-k…

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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) 3.11 8.22 -9.87 1 6 0 75 384.505 6 ↓

Analogs

4965033
4965033
4965036
4965036

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(cyclopentylamino)-2-keto-1-(p-tolyl)ethyl]-N-cyclopropyl-thiadiazole-4-carboxamide N-[(1R)-2-(cyclopentylamino)-2-k…

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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) 3.11 8.31 -11.39 1 6 0 75 384.505 6 ↓

Analogs

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Popular Name: N-[(1S)-1-(4-chlorophenyl)-2-(cyclopentylamino)-2-keto-ethyl]-N-cyclopropyl-thiadiazole-4-carboxamid N-[(1S)-1-(4-chlorophenyl)-2-(cy…

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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 8.25 -8.81 1 6 0 75 404.923 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(4-chlorophenyl)-2-(cyclopentylamino)-2-keto-ethyl]-N-cyclopropyl-thiadiazole-4-carboxamid N-[(1R)-1-(4-chlorophenyl)-2-(cy…

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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 8.86 -12.7 1 6 0 75 404.923 6 ↓

Analogs

4965172
4965172
4965174
4965174
4965175
4965175
4965177
4965177

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Popular Name: N-[(1S)-2-(cyclopentylamino)-1-(4-fluorophenyl)-2-keto-ethyl]-N-cyclopropyl-thiadiazole-4-carboxamid N-[(1S)-2-(cyclopentylamino)-1-(…

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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) 2.82 7.8 -9.21 1 6 0 75 388.468 6 ↓

Analogs

4965172
4965172
4965174
4965174
4965175
4965175
4965177
4965177

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Popular Name: N-[(1R)-2-(cyclopentylamino)-1-(4-fluorophenyl)-2-keto-ethyl]-N-cyclopropyl-thiadiazole-4-carboxamid N-[(1R)-2-(cyclopentylamino)-1-(…

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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) 2.82 8.42 -13.17 1 6 0 75 388.468 6 ↓

Analogs

4965197
4965197
4965199
4965199
4965200
4965200

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Popular Name: N-[(1S)-2-(cyclopentylamino)-2-keto-1-(4-methoxyphenyl)ethyl]-N-cyclopropyl-thiadiazole-4-carboxamid N-[(1S)-2-(cyclopentylamino)-2-k…

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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 6.85 -10.95 1 7 0 84 400.504 7 ↓

Analogs

4965197
4965197
4965199
4965199
4965200
4965200

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(cyclopentylamino)-2-keto-1-(4-methoxyphenyl)ethyl]-N-cyclopropyl-thiadiazole-4-carboxamid N-[(1R)-2-(cyclopentylamino)-2-k…

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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 6.93 -12.46 1 7 0 84 400.504 7 ↓

Analogs

4965033
4965033
4965036
4965036

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Popular Name: N-[(1S)-2-(cyclopentylamino)-1-(4-ethylphenyl)-2-keto-ethyl]-N-cyclopropyl-thiadiazole-4-carboxamide N-[(1S)-2-(cyclopentylamino)-1-(…

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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 8.99 -9.6 1 6 0 75 398.532 7 ↓

Analogs

4965033
4965033
4965036
4965036

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(cyclopentylamino)-1-(4-ethylphenyl)-2-keto-ethyl]-N-cyclopropyl-thiadiazole-4-carboxamide N-[(1R)-2-(cyclopentylamino)-1-(…

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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 9.07 -11.13 1 6 0 75 398.532 7 ↓

Parameters Provided:

ring.id = 225175
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 = 225175 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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