UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(cyclohexylmethyl)-N-cyclopropyl-1,3,5-trimethyl-pyrazole-4-sulfonamide N-(cyclohexylmethyl)-N-cycloprop…

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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) 2.73 7.31 -10.81 0 5 0 55 325.478 5 ↓

Analogs

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Popular Name: 5-chloro-N-(cyclohexylmethyl)-N-cyclopropyl-1,3-dimethyl-pyrazole-4-sulfonamide 5-chloro-N-(cyclohexylmethyl)-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) 3.31 7.1 -8.35 0 5 0 55 345.896 5 ↓

Analogs

37840503
37840503

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Popular Name: N-(cyclohexylmethyl)-N-cyclopropyl-1H-pyrazole-4-sulfonamide N-(cyclohexylmethyl)-N-cycloprop…

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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) 2.21 4.66 -9.79 1 5 0 66 283.397 5 ↓

Analogs

35207481
35207481
2500150
2500150

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Popular Name: N-(cyclohexylmethyl)-N-cyclopropyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide N-(cyclohexylmethyl)-N-cycloprop…

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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 6.11 -9.1 1 5 0 66 311.451 5 ↓

Analogs

36170393
36170393
36170392
36170392
35175229
35175229
35175226
35175226

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclohexylmethyl)-N-cyclopropyl-5-methyl-1H-pyrazole-4-sulfonamide N-(cyclohexylmethyl)-N-cycloprop…

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) 2.44 4.92 -11.09 1 5 0 66 297.424 5 ↓

Parameters Provided:

ring.id = 110051
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 = 110051 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=110051&filter.purchasability=annotated

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