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

Analogs

11845591
11845591
11845680
11845680
11845681
11845681

Draw Identity 99% 90% 80% 70%

Popular Name: 2,2-dimethyl-N-[(2R)-2-(1-methylpyrrol-2-yl)-2-pyrrolidin-1-yl-ethyl]propanamide 2,2-dimethyl-N-[(2R)-2-(1-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) 2.69 0.85 -40.16 2 4 1 38 278.42 5 ↓

Analogs

11845680
11845680
11845681
11845681
11845590
11845590

Draw Identity 99% 90% 80% 70%

Popular Name: 2,2-dimethyl-N-[(2S)-2-(1-methylpyrrol-2-yl)-2-pyrrolidin-1-yl-ethyl]propanamide 2,2-dimethyl-N-[(2S)-2-(1-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) 2.69 1.78 -39.42 2 4 1 38 278.42 5 ↓

Analogs

11845681
11845681
11845590
11845590
11845591
11845591

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[(2R)-2-(1-methylpyrrol-2-yl)-2-pyrrolidin-1-yl-ethyl]propanamide 2-methyl-N-[(2R)-2-(1-methylpyrr…

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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) 1.78 0.35 -39.84 2 4 1 38 264.393 5 ↓

Analogs

11845590
11845590
11845591
11845591
11845680
11845680

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[(2S)-2-(1-methylpyrrol-2-yl)-2-pyrrolidin-1-yl-ethyl]propanamide 2-methyl-N-[(2S)-2-(1-methylpyrr…

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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) 1.78 1.28 -39.19 2 4 1 38 264.393 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(1-methylpyrrol-2-yl)-2-pyrrolidin-1-yl-ethyl]oxamide N-[(2R)-2-(1-methylpyrrol-2-yl)-…

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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) -0.61 2.04 -37.18 4 6 1 82 265.337 5 ↓
Hi High (pH 8-9.5) -0.61 0.26 -7.62 3 6 0 80 264.329 5 ↓
Hi High (pH 8-9.5) -0.43 2.31 -41.21 3 6 0 88 264.329 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-(1-methylpyrrol-2-yl)-2-pyrrolidin-1-yl-ethyl]oxamide N-[(2S)-2-(1-methylpyrrol-2-yl)-…

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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) -0.61 1.44 -36.1 4 6 1 82 265.337 5 ↓
Hi High (pH 8-9.5) -0.43 1.03 -34.08 3 6 0 88 264.329 5 ↓
Hi High (pH 8-9.5) -0.61 -0.87 -7.51 3 6 0 80 264.329 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(1-methylpyrrol-2-yl)-2-pyrrolidin-1-yl-ethyl]-N'-(2,2,2-trifluoroethyl)oxamide N-[(2R)-2-(1-methylpyrrol-2-yl)-…

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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) 0.69 4.84 -38.3 3 6 1 68 347.361 7 ↓
Hi High (pH 8-9.5) 0.87 5.08 -36.74 2 6 0 74 346.353 7 ↓
Hi High (pH 8-9.5) 0.69 3.06 -6.77 2 6 0 66 346.353 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-(1-methylpyrrol-2-yl)-2-pyrrolidin-1-yl-ethyl]-N'-(2,2,2-trifluoroethyl)oxamide N-[(2S)-2-(1-methylpyrrol-2-yl)-…

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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) 0.69 4.24 -37.7 3 6 1 68 347.361 7 ↓
Hi High (pH 8-9.5) 0.87 3.78 -30.5 2 6 0 74 346.353 7 ↓
Hi High (pH 8-9.5) 0.69 1.93 -6.99 2 6 0 66 346.353 7 ↓

Parameters Provided:

ring.id = 61481
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 = 61481 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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