UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

1177504
1177504

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Popular Name: N-[2-[(2R)-2-methylmorpholine-4-carbonyl]phenyl]benzamide N-[2-[(2R)-2-methylmorpholine-4-…

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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) 1.96 6.99 -12.81 1 5 0 59 324.38 3 ↓

Analogs

1177504
1177504

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Popular Name: N-[2-[(2S)-2-methylmorpholine-4-carbonyl]phenyl]benzamide N-[2-[(2S)-2-methylmorpholine-4-…

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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) 1.96 7.02 -12.34 1 5 0 59 324.38 3 ↓

Analogs

13012498
13012498
13012499
13012499

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Popular Name: N-[2-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-3-methylsulfonyl-benzamide N-[2-[(2R,6R)-2,6-dimethylmorpho…

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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) 1.17 5.45 -19.9 1 7 0 93 416.499 4 ↓

Analogs

13012499
13012499
13012496
13012496

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Popular Name: N-[2-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-3-methylsulfonyl-benzamide N-[2-[(2S,6R)-2,6-dimethylmorpho…

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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) 1.17 5.28 -20.83 1 7 0 93 416.499 4 ↓

Analogs

13012496
13012496
13012498
13012498

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Popular Name: N-[2-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-3-methylsulfonyl-benzamide N-[2-[(2S,6S)-2,6-dimethylmorpho…

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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) 1.17 5.45 -19.95 1 7 0 93 416.499 4 ↓

Analogs

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Popular Name: 4-methanesulfonamido-3-methyl-N-[2-(morpholine-4-carbonyl)phenyl]benzamide 4-methanesulfonamido-3-methyl-N-…

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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) 1.20 3.77 -18.45 2 8 0 105 417.487 5 ↓
Hi High (pH 8-9.5) 1.20 3.85 -44.86 1 8 -1 107 416.479 5 ↓

Analogs

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Popular Name: 2-methyl-N-[2-(morpholine-4-carbonyl)phenyl]-5-nitro-benzamide 2-methyl-N-[2-(morpholine-4-carb…

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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) 1.93 7.68 -13.02 1 8 0 104 369.377 4 ↓

Parameters Provided:

ring.id = 108258
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 = 108258 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=108258&filter.purchasability=annotated

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