UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4890449
4890449
4890451
4890451

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Popular Name: N-allyl-N-[(1S)-2-(cyclohexylamino)-2-keto-1-phenyl-ethyl]thiadiazole-4-carboxamide N-allyl-N-[(1S)-2-(cyclohexylami…

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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) 3.45 8.22 -9.29 1 6 0 75 384.505 7 ↓

Analogs

4890449
4890449
4890451
4890451

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Popular Name: N-allyl-N-[(1R)-2-(cyclohexylamino)-2-keto-1-phenyl-ethyl]thiadiazole-4-carboxamide N-allyl-N-[(1R)-2-(cyclohexylami…

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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) 3.45 8.88 -9.22 1 6 0 75 384.505 7 ↓

Analogs

4890449
4890449
4890451
4890451

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Popular Name: N-allyl-N-[(1S)-2-(cyclohexylamino)-2-keto-1-(p-tolyl)ethyl]thiadiazole-4-carboxamide N-allyl-N-[(1S)-2-(cyclohexylami…

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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) 3.89 9.06 -9.28 1 6 0 75 398.532 7 ↓

Analogs

4890449
4890449
4890451
4890451

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Popular Name: N-allyl-N-[(1R)-2-(cyclohexylamino)-2-keto-1-(p-tolyl)ethyl]thiadiazole-4-carboxamide N-allyl-N-[(1R)-2-(cyclohexylami…

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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) 3.89 9.09 -9.21 1 6 0 75 398.532 7 ↓

Analogs

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Popular Name: N-allyl-N-[(1S)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-keto-ethyl]thiadiazole-4-carboxamide N-allyl-N-[(1S)-1-(4-chloropheny…

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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) 4.12 8.74 -8.92 1 6 0 75 418.95 7 ↓

Analogs

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Popular Name: N-allyl-N-[(1R)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-keto-ethyl]thiadiazole-4-carboxamide N-allyl-N-[(1R)-1-(4-chloropheny…

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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) 4.12 9.4 -8.81 1 6 0 75 418.95 7 ↓

Analogs

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Popular Name: N-allyl-N-[(1S)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-keto-ethyl]thiadiazole-4-carboxamide N-allyl-N-[(1S)-2-(cyclohexylami…

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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) 3.61 8.29 -9.36 1 6 0 75 402.495 7 ↓

Analogs

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Popular Name: N-allyl-N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-keto-ethyl]thiadiazole-4-carboxamide N-allyl-N-[(1R)-2-(cyclohexylami…

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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) 3.61 8.94 -9.2 1 6 0 75 402.495 7 ↓

Analogs

4890172
4890172

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Popular Name: N-[cyclohexylcarbamoyl-(p-tolyl)methyl]-N-isopentyl-thiadiazole-4-carboxamide N-[cyclohexylcarbamoyl-(p-tolyl)…

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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) 4.90 -0.21 -7.21 1 6 0 75 428.602 8 ↓

Analogs

4890170
4890170

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Popular Name: N-[cyclohexylcarbamoyl-(p-tolyl)methyl]-N-isopentyl-thiadiazole-4-carboxamide N-[cyclohexylcarbamoyl-(p-tolyl)…

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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) 4.90 -0.1 -8.52 1 6 0 75 428.602 8 ↓

Analogs

4890288
4890288
4890297
4890297
4890298
4890298
4890309
4890309
4890310
4890310

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Popular Name: N-(cyclohexylcarbamoyl-phenyl-methyl)-N-(2-methoxyethyl)thiadiazole-4-carboxamide N-(cyclohexylcarbamoyl-phenyl-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) 2.79 7.28 -10.35 1 7 0 84 402.52 8 ↓

Analogs

4890297
4890297
4890298
4890298
4890309
4890309
4890310
4890310
4890286
4890286

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Popular Name: N-(cyclohexylcarbamoyl-phenyl-methyl)-N-(2-methoxyethyl)thiadiazole-4-carboxamide N-(cyclohexylcarbamoyl-phenyl-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) 2.79 8.62 -13.94 1 7 0 84 402.52 8 ↓

Analogs

4890298
4890298
4890286
4890286

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Popular Name: N-[cyclohexylcarbamoyl-(p-tolyl)methyl]-N-(2-methoxyethyl)thiadiazole-4-carboxamide N-[cyclohexylcarbamoyl-(p-tolyl)…

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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) 3.23 7.66 -9.55 1 7 0 84 416.547 8 ↓

Analogs

4890309
4890309
4890310
4890310
4890286
4890286

Draw Identity 99% 90% 80% 70%

Popular Name: N-[cyclohexylcarbamoyl-(p-tolyl)methyl]-N-(2-methoxyethyl)thiadiazole-4-carboxamide N-[cyclohexylcarbamoyl-(p-tolyl)…

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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) 3.23 9.09 -9.66 1 7 0 84 416.547 8 ↓

Analogs

12871524
12871524
12871535
12871535
12873384
12873384
12873389
12873389
1378495
1378495

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Popular Name: N-[cyclohexylcarbamoyl-(4-fluorophenyl)-methyl]-N-(2-methoxyethyl)thiadiazole-4-carboxamide N-[cyclohexylcarbamoyl-(4-fluoro…

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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) 2.95 -0.79 -9.27 1 7 0 84 420.51 8 ↓

Analogs

12871524
12871524
12871535
12871535
12873384
12873384
12873389
12873389
1378495
1378495

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Popular Name: N-[cyclohexylcarbamoyl-(4-fluorophenyl)-methyl]-N-(2-methoxyethyl)thiadiazole-4-carboxamide N-[cyclohexylcarbamoyl-(4-fluoro…

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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) 2.95 0.49 -8.73 1 7 0 84 420.51 8 ↓

Parameters Provided:

ring.id = 225200
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 = 225200 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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