UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[(1S,2R)-2-methylcyclohexyl]-2-phenylsulfanyl-pyridine-3-carboxamide N-[(1S,2R)-2-methylcyclohexyl]-2…

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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) 4.46 10.09 -11.51 1 3 0 42 326.465 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2S)-2-methylcyclohexyl]-2-phenylsulfanyl-pyridine-3-carboxamide N-[(1S,2S)-2-methylcyclohexyl]-2…

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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) 4.46 9.7 -12.15 1 3 0 42 326.465 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2R)-2-methylcyclohexyl]-2-phenylsulfanyl-pyridine-3-carboxamide N-[(1R,2R)-2-methylcyclohexyl]-2…

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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) 4.46 9.7 -12.12 1 3 0 42 326.465 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2S)-2-methylcyclohexyl]-2-phenylsulfanyl-pyridine-3-carboxamide N-[(1R,2S)-2-methylcyclohexyl]-2…

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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) 4.46 10.09 -11.54 1 3 0 42 326.465 4 ↓

Analogs

36828407
36828407
6607298
6607298
3415748
3415748
6784312
6784312

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Popular Name: N-(4-tert-butylcyclohexyl)-2-(p-tolylsulfanyl)pyridine-3-carboxamide N-(4-tert-butylcyclohexyl)-2-(p-…

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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) 5.77 11.5 -12.05 1 3 0 42 382.573 5 ↓

Analogs

36828407
36828407

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Popular Name: N-(4-tert-butylcyclohexyl)-2-phenylsulfanyl-pyridine-3-carboxamide N-(4-tert-butylcyclohexyl)-2-phe…

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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) 5.32 10.82 -12.05 1 3 0 42 368.546 5 ↓

Analogs

32958356
32958356
6784312
6784312
3332461
3332461

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Popular Name: N-[(1S,2S)-2-hydroxycyclohexyl]-2-phenylsulfanyl-pyridine-3-carboxamide N-[(1S,2S)-2-hydroxycyclohexyl]-…

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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) 3.07 5.56 -14.45 2 4 0 62 328.437 4 ↓

Analogs

32958353
32958353
32958356
32958356
32958354
32958354

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Popular Name: N-[(1S,2S)-2-hydroxycyclohexyl]-2-(p-tolylsulfanyl)pyridine-3-carboxamide N-[(1S,2S)-2-hydroxycyclohexyl]-…

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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) 3.52 6.23 -14.43 2 4 0 62 342.464 4 ↓

Analogs

4300662
4300662
12899410
12899410

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Popular Name: 2-(2,5-dimethoxyphenyl)sulfanyl-N-[(1S,2S)-2-hydroxycyclohexyl]pyridine-3-carboxamide 2-(2,5-dimethoxyphenyl)sulfanyl-…

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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 4.19 -18.25 2 6 0 81 388.489 6 ↓

Parameters Provided:

ring.id = 264504
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 = 264504 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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