UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11976334
11976334
34873042
34873042
34873043
34873043

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Popular Name: N-[2-(1H-indol-3-yl)ethyl]-3-[(2S)-2-[(4-methylsulfanylphenyl)methyl]-5-oxo-pyrrolidin-2-yl]propanam N-[2-(1H-indol-3-yl)ethyl]-3-[(2…

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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) 3.72 -2.74 -20.62 3 5 0 74 435.593 9 ↓

Analogs

34873042
34873042
34873043
34873043
11976323
11976323

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Popular Name: N-[2-(1H-indol-3-yl)ethyl]-3-[(2R)-2-[(4-methylsulfanylphenyl)methyl]-5-oxo-pyrrolidin-2-yl]propanam N-[2-(1H-indol-3-yl)ethyl]-3-[(2…

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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) 3.72 -3.24 -21.24 3 5 0 74 435.593 9 ↓

Analogs

12037546
12037546

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Popular Name: N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-3-[(2S)-2-[(2-fluoro-5-methoxy-phenyl)methyl]-5-oxo-pyr N-[2-(5-chloro-2-methyl-1H-indol…

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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) 4.31 -1.71 -18.2 3 6 0 83 485.987 9 ↓

Analogs

12037543
12037543

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Popular Name: N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-3-[(2R)-2-[(2-fluoro-5-methoxy-phenyl)methyl]-5-oxo-pyr N-[2-(5-chloro-2-methyl-1H-indol…

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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) 4.31 -2.11 -20.13 3 6 0 83 485.987 9 ↓

Analogs

12038404
12038404

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Popular Name: N-[2-(1H-indol-3-yl)ethyl]-3-[(2S)-2-[(3-methoxyphenyl)methyl]-5-oxo-pyrrolidin-2-yl]propanamide N-[2-(1H-indol-3-yl)ethyl]-3-[(2…

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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) 3.32 -2.36 -20.19 3 6 0 83 419.525 9 ↓

Analogs

12038399
12038399

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Popular Name: N-[2-(1H-indol-3-yl)ethyl]-3-[(2R)-2-[(3-methoxyphenyl)methyl]-5-oxo-pyrrolidin-2-yl]propanamide N-[2-(1H-indol-3-yl)ethyl]-3-[(2…

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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) 3.32 -2.96 -19.81 3 6 0 83 419.525 9 ↓

Parameters Provided:

ring.id = 62989
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 = 62989 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=62989&filter.purchasability=annotated

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