UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

35247375
35247375
36227126
36227126
36227127
36227127
22160706
22160706

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Popular Name: 4-[ethyl-[[(3S)-tetrahydrofuran-3-yl]methyl]sulfamoyl]-1-methyl-pyrrole-2-carboxylic 4-[ethyl-[[(3S)-tetrahydrofuran-…

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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) 0.84 4.29 -54.41 0 7 -1 92 315.371 6 ↓

Analogs

35247375
35247375
36227126
36227126
36227127
36227127
22160706
22160706

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[ethyl-[[(3R)-tetrahydrofuran-3-yl]methyl]sulfamoyl]-1-methyl-pyrrole-2-carboxylic 4-[ethyl-[[(3R)-tetrahydrofuran-…

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) 0.84 4.09 -53.08 0 7 -1 92 315.371 6 ↓

Analogs

36198855
36198855
36227128
36227128
36227129
36227129

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[ethyl-[[(3S)-tetrahydrofuran-3-yl]methyl]sulfamoyl]-1H-pyrrole-2-carboxylic 4-[ethyl-[[(3S)-tetrahydrofuran-…

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) 0.77 2.67 -53.18 1 7 -1 103 301.344 6 ↓

Analogs

36198855
36198855
36227128
36227128
36227129
36227129

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[ethyl-[[(3R)-tetrahydrofuran-3-yl]methyl]sulfamoyl]-1H-pyrrole-2-carboxylic 4-[ethyl-[[(3R)-tetrahydrofuran-…

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) 0.77 2.46 -51.87 1 7 -1 103 301.344 6 ↓

Parameters Provided:

ring.id = 582219
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 = 582219 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=582219&filter.purchasability=annotated

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