UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide N-[(2R)-2-(dimethylamino)-2-(3-m…

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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) 2.23 9.62 -50.66 2 6 1 63 396.511 8 ↓
Mid Mid (pH 6-8) 2.23 7.7 -18.86 1 6 0 62 395.503 8 ↓

Analogs

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Popular Name: N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide N-[(2S)-2-(dimethylamino)-2-(3-m…

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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) 2.23 9.64 -52.18 2 6 1 63 396.511 8 ↓
Mid Mid (pH 6-8) 2.23 7.02 -17.68 1 6 0 62 395.503 8 ↓

Analogs

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Popular Name: N-[(2S)-2-dimethylamino-2-(4-ethylphenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide N-[(2S)-2-dimethylamino-2-(4-eth…

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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) 3.11 11.79 -52.31 2 5 1 54 394.539 8 ↓
Hi High (pH 8-9.5) 3.11 9.65 -18.32 1 5 0 53 393.531 8 ↓

Analogs

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Popular Name: N-[(2R)-2-dimethylamino-2-(4-ethylphenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide N-[(2R)-2-dimethylamino-2-(4-eth…

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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) 3.11 12.32 -55.51 2 5 1 54 394.539 8 ↓
Hi High (pH 8-9.5) 3.11 10.22 -18.52 1 5 0 53 393.531 8 ↓

Analogs

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Popular Name: N-[(2R)-2-diethylamino-2-(3-methoxyphenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide N-[(2R)-2-diethylamino-2-(3-meth…

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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) 2.98 11.15 -53.46 2 6 1 63 424.565 10 ↓

Analogs

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Popular Name: N-[(2S)-2-diethylamino-2-(3-methoxyphenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide N-[(2S)-2-diethylamino-2-(3-meth…

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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) 2.98 11.07 -54.61 2 6 1 63 424.565 10 ↓

Analogs

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Popular Name: (2S)-2-[[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]amino]-3-phenyl-propanoic (2S)-2-[[2-[4-(2-oxopyrrolidin-1…

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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) 0.17 9.4 -62.9 1 6 -1 90 365.409 7 ↓

Analogs

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Popular Name: (2S)-2-[2-cyanoethyl-[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]amino]-3-phenyl-propanoic (2S)-2-[2-cyanoethyl-[2-[4-(2-ox…

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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) -0.13 12.91 -68.82 0 7 -1 105 418.473 9 ↓

Analogs

14237956
14237956
25082090
25082090
34679655
34679655

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Popular Name: N-[(2S)-2-dimethylamino-2-(4-methoxyphenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide N-[(2S)-2-dimethylamino-2-(4-met…

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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) 2.25 9.32 -57.53 2 6 1 63 396.511 8 ↓

Analogs

25082090
25082090
34679655
34679655
14237953
14237953

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-dimethylamino-2-(4-methoxyphenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide N-[(2R)-2-dimethylamino-2-(4-met…

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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) 2.25 10.17 -55.85 2 6 1 63 396.511 8 ↓

Parameters Provided:

ring.id = 26979
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 = 26979 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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