UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2S)-N-benzyl-1-(4-bromobenzoyl)pyrrolidine-2-carboxamide (2S)-N-benzyl-1-(4-bromobenzoyl)…

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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) 2.61 8.87 -15.38 1 4 0 49 387.277 4 ↓

Analogs

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Popular Name: (2R)-1-(5-chloro-2-methoxy-benzoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide (2R)-1-(5-chloro-2-methoxy-benzo…

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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) 3.90 10.06 -18.35 1 5 0 59 440.849 6 ↓

Analogs

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Popular Name: (2S)-1-(5-chloro-2-methoxy-benzoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide (2S)-1-(5-chloro-2-methoxy-benzo…

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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) 3.90 10.61 -19.11 1 5 0 59 440.849 6 ↓

Analogs

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Popular Name: (2S)-1-(5-chloro-2-methoxy-benzoyl)-N-[(3-methoxyphenyl)methyl]-N-methyl-pyrrolidine-2-carboxamide (2S)-1-(5-chloro-2-methoxy-benzo…

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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) 3.29 9.85 -22.73 0 6 0 59 416.905 6 ↓

Analogs

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Popular Name: (2R)-1-(5-chloro-2-methoxy-benzoyl)-N-[(3-methoxyphenyl)methyl]-N-methyl-pyrrolidine-2-carboxamide (2R)-1-(5-chloro-2-methoxy-benzo…

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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) 3.29 10.63 -26.33 0 6 0 59 416.905 6 ↓

Analogs

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Popular Name: (2S)-1-(5-chloro-2-methoxy-benzoyl)-N-[(2,4-difluorophenyl)methyl]-N-methyl-pyrrolidine-2-carboxamid (2S)-1-(5-chloro-2-methoxy-benzo…

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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) 3.51 10.65 -22.08 0 5 0 50 422.859 5 ↓

Analogs

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Popular Name: (2R)-1-(5-chloro-2-methoxy-benzoyl)-N-[(2,4-difluorophenyl)methyl]-N-methyl-pyrrolidine-2-carboxamid (2R)-1-(5-chloro-2-methoxy-benzo…

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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) 3.51 11.32 -25.26 0 5 0 50 422.859 5 ↓

Analogs

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Popular Name: (2S)-1-(5-chloro-2-methoxy-benzoyl)-N-[(4-ethylphenyl)methyl]-N-methyl-pyrrolidine-2-carboxamide (2S)-1-(5-chloro-2-methoxy-benzo…

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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) 4.17 11.99 -19.23 0 5 0 50 414.933 6 ↓

Analogs

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Popular Name: (2R)-1-(5-chloro-2-methoxy-benzoyl)-N-[(4-ethylphenyl)methyl]-N-methyl-pyrrolidine-2-carboxamide (2R)-1-(5-chloro-2-methoxy-benzo…

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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) 4.17 12.77 -22.25 0 5 0 50 414.933 6 ↓

Analogs

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Popular Name: (2S)-1-(5-chloro-2-methoxy-benzoyl)-N-[(2-chlorophenyl)methyl]-N-methyl-pyrrolidine-2-carboxamide (2S)-1-(5-chloro-2-methoxy-benzo…

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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) 3.88 10.98 -19.19 0 5 0 50 421.324 5 ↓

Analogs

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Popular Name: (2R)-1-(5-chloro-2-methoxy-benzoyl)-N-[(2-chlorophenyl)methyl]-N-methyl-pyrrolidine-2-carboxamide (2R)-1-(5-chloro-2-methoxy-benzo…

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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) 3.88 12.46 -20.34 0 5 0 50 421.324 5 ↓

Parameters Provided:

ring.id = 51791
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 = 51791 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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