UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[(4-methylthiazol-2-yl)carbamoylmethyl]-N-pentyl-cyclohexanecarboxamide N-[(4-methylthiazol-2-yl)carbamo…

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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) 4.34 9.46 -14.91 1 5 0 62 351.516 8 ↓

Analogs

4528223
4528223
4528224
4528224

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Popular Name: N-[(1R)-1-methyl-2-[(4-methylthiazol-2-yl)amino]-2-oxo-ethyl]cyclohexanecarboxamide N-[(1R)-1-methyl-2-[(4-methylthi…

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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) 2.12 4.93 -8.96 2 5 0 71 295.408 4 ↓

Analogs

4528223
4528223
4528224
4528224

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Popular Name: N-[(1S)-1-methyl-2-[(4-methylthiazol-2-yl)amino]-2-oxo-ethyl]cyclohexanecarboxamide N-[(1S)-1-methyl-2-[(4-methylthi…

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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) 2.12 4.93 -8.99 2 5 0 71 295.408 4 ↓

Analogs

33729201
33729201
33729202
33729202
4514170
4514170

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Popular Name: N-[(1R)-1-methyl-2-[(5-methylthiazol-2-yl)amino]-2-oxo-ethyl]cyclohexanecarboxamide N-[(1R)-1-methyl-2-[(5-methylthi…

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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) 2.12 5.48 -12.45 2 5 0 71 295.408 4 ↓

Analogs

33729201
33729201
33729202
33729202
4514170
4514170

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-methyl-2-[(5-methylthiazol-2-yl)amino]-2-oxo-ethyl]cyclohexanecarboxamide N-[(1S)-1-methyl-2-[(5-methylthi…

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) 2.12 5.48 -12.44 2 5 0 71 295.408 4 ↓

Parameters Provided:

ring.id = 3095
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 = 3095 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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