UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37809546
37809546
37812396
37812396
37814647
37814647
37825631
37825631
44624778
44624778

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Popular Name: N-cyclopropyl-N-(2-hydroxyethyl)indoline-5-carboxamide N-cyclopropyl-N-(2-hydroxyethyl)…

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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) 0.46 2.73 -10.52 2 4 0 53 246.31 4 ↓

Analogs

37806732
37806732
37814647
37814647
42779146
42779146
44816052
44816052
45200278
45200278

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Popular Name: N-cyclopropyl-N-ethyl-indoline-5-carboxamide N-cyclopropyl-N-ethyl-indoline-5…

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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) 1.47 5.92 -9.19 1 3 0 32 230.311 3 ↓

Analogs

37806732
37806732
37814647
37814647
42779146
42779146
44816052
44816052
45200278
45200278

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Popular Name: N-cyclopropyl-N-methyl-indoline-5-carboxamide N-cyclopropyl-N-methyl-indoline-…

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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) 1.10 5.03 -9.93 1 3 0 32 216.284 2 ↓

Analogs

37806732
37806732
37807041
37807041
37814647
37814647
42779146
42779146
44816052
44816052

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Popular Name: N-cyclopropyl-N-propyl-indoline-5-carboxamide N-cyclopropyl-N-propyl-indoline-…

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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) 1.98 6.66 -8.66 1 3 0 32 244.338 4 ↓

Analogs

36136815
36136815
36326560
36326560
36326558
36326558
19722387
19722387

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Popular Name: 1H-Indole-5-carboxamide, N-cyclopropyl-2,3-dihydro-N-(2-methoxyethyl)- 1H-Indole-5-carboxamide, N-cyclo…

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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) 1.08 5.17 -9.92 1 4 0 42 260.337 5 ↓

Analogs

58166909
58166909
37031887
37031887
37033391
37033391
36136815
36136815
36326560
36326560

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Popular Name: ethyl 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) 1.33 7.13 -10.83 1 5 0 59 288.347 6 ↓

Parameters Provided:

ring.id = 65970
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 = 65970 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=65970&filter.purchasability=annotated

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