UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

52276761
52276761
52276765
52276765
52276767
52276767
52276770
52276770

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Popular Name: methyl methyl

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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) 2.75 5.22 -9.03 1 5 0 72 315.416 7 ↓

Analogs

41043973
41043973
41043974
41043974

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Popular Name: 4-amino-N-(dicyclopropylmethyl)thiophene-2-sulfonamide 4-amino-N-(dicyclopropylmethyl)t…

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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) 2.09 2.32 -8.1 3 4 0 72 272.395 5 ↓
Lo Low (pH 4.5-6) 2.09 2.16 -54.63 4 4 1 74 273.403 5 ↓

Analogs

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Popular Name: 5-(dicyclopropylmethylsulfamoyl)-3-methyl-thiophene-2-carboxylic 5-(dicyclopropylmethylsulfamoyl)…

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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) 2.87 5.77 -46.38 1 5 -1 86 314.408 6 ↓

Analogs

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Popular Name: 5-(dicyclopropylmethylsulfamoyl)thiophene-2-carboxylic 5-(dicyclopropylmethylsulfamoyl)…

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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) 2.49 5.2 -46.07 1 5 -1 86 300.381 6 ↓

Analogs

42559731
42559731
42559734
42559734
42559737
42559737

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Popular Name: 5-(aminomethyl)-N-(dicyclopropylmethyl)thiophene-2-sulfonamide 5-(aminomethyl)-N-(dicyclopropyl…

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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) 2.10 2.68 -55.93 4 4 1 74 287.43 6 ↓
Hi High (pH 8-9.5) 2.10 2.29 -8.35 3 4 0 72 286.422 6 ↓

Analogs

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Popular Name: 5-(2-aminoethyl)-N-(dicyclopropylmethyl)thiophene-2-sulfonamide 5-(2-aminoethyl)-N-(dicyclopropy…

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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) 1.90 3.45 -56.31 4 4 1 74 301.457 7 ↓

Analogs

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Popular Name: N-(dicyclopropylmethyl)-5-ethyl-thiophene-2-sulfonamide N-(dicyclopropylmethyl)-5-ethyl-…

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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) 3.48 6.08 -8.14 1 3 0 46 285.434 6 ↓

Parameters Provided:

ring.id = 384973
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 = 384973 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=384973&filter.purchasability=annotated

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