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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

34797991
34797991
34797992
34797992
5186884
5186884
539385
539385

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Popular Name: MFCD04116080 MFCD04116080

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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) 1.18 -1.71 -58.4 0 5 -1 70 262.285 2 ↓

Analogs

3882424
3882424
5186884
5186884
5816914
5816914
6492867
6492867
12404540
12404540

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclopentyl-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid 2-cyclopentyl-1-oxo-1,2,3,6,7,7a…

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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) 1.18 6.54 -70.96 0 5 -1 70 262.285 2 ↓
Lo Low (pH 4.5-6) 1.18 4.38 -16.4 1 5 0 67 263.293 2 ↓

Analogs

539975
539975
2393166
2393166
2393167
2393167
5817309
5817309
5817315
5817315

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Popular Name: cyclopentyl(keto)BLAHcarboxylic-acid-isobutyl-ester cyclopentyl(keto)BLAHcarboxylic-…

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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) 2.92 8.06 -11.44 0 5 0 56 319.401 5 ↓

Analogs

2393166
2393166
2393167
2393167
5817309
5817309
5817315
5817315
5965061
5965061

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Popular Name: cyclopentyl(keto)BLAHcarboxylic-acid-isobutyl-ester cyclopentyl(keto)BLAHcarboxylic-…

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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) 2.92 8.98 -16.92 0 5 0 56 319.401 5 ↓

Analogs

541863
541863
543269
543269
543270
543270
803182
803182
5817413
5817413

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Popular Name: cyclopentyl(keto)BLAHcarboxylic-acid-ethyl-ester cyclopentyl(keto)BLAHcarboxylic-…

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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) 2.17 -0.32 -11.45 0 5 0 55 291.347 4 ↓

Analogs

543269
543269
543270
543270
803182
803182
5817413
5817413
5817422
5817422

Draw Identity 99% 90% 80% 70%

Popular Name: cyclopentyl(keto)BLAHcarboxylic-acid-ethyl-ester cyclopentyl(keto)BLAHcarboxylic-…

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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) 2.17 -0.05 -16.88 0 5 0 55 291.347 4 ↓

Parameters Provided:

ring.id = 102542
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 = 102542 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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