UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11538228
11538228

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Popular Name: 1-(2-methylmorpholin-4-yl)-2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone 1-(2-methylmorpholin-4-yl)-2-[[5…

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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) 3.80 -2.45 -9.68 0 6 0 68 375.494 5 ↓

Analogs

11538227
11538227

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Popular Name: 1-(2-methylmorpholin-4-yl)-2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone 1-(2-methylmorpholin-4-yl)-2-[[5…

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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) 3.80 -2.45 -9.7 0 6 0 68 375.494 5 ↓

Analogs

12854180
12854180
26491773
26491773
26491777
26491777

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Popular Name: (2S)-2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholino-propan-1-one (2S)-2-[[5-(2-methoxyphenyl)-1,3…

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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) 2.10 1.99 -13.28 0 7 0 78 349.412 5 ↓

Analogs

26491773
26491773
26491777
26491777
12854175
12854175

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Popular Name: (2R)-2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholino-propan-1-one (2R)-2-[[5-(2-methoxyphenyl)-1,3…

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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) 2.10 2.07 -13.27 0 7 0 78 349.412 5 ↓

Analogs

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Popular Name: (2R)-1-morpholino-2-[[5-(p-tolyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one (2R)-1-morpholino-2-[[5-(p-tolyl…

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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) 2.54 3.1 -10.02 0 6 0 68 333.413 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-morpholino-2-[[5-(p-tolyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one (2S)-1-morpholino-2-[[5-(p-tolyl…

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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) 2.54 3.07 -10.02 0 6 0 68 333.413 4 ↓

Analogs

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Popular Name: (2R)-1-morpholino-2-[[5-(o-tolyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one (2R)-1-morpholino-2-[[5-(o-tolyl…

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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) 2.49 3.67 -10.17 0 6 0 68 333.413 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-morpholino-2-[[5-(o-tolyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one (2S)-1-morpholino-2-[[5-(o-tolyl…

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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) 2.49 3.64 -10.19 0 6 0 68 333.413 4 ↓

Analogs

15940493
15940493
14137219
14137219
14137221
14137221

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Popular Name: (2R)-1-morpholino-2-[[5-(m-tolyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one (2R)-1-morpholino-2-[[5-(m-tolyl…

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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) 2.51 3.02 -10.37 0 6 0 68 333.413 4 ↓

Analogs

15940491
15940491

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Popular Name: (2S)-1-morpholino-2-[[5-(m-tolyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one (2S)-1-morpholino-2-[[5-(m-tolyl…

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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) 2.51 2.94 -10.31 0 6 0 68 333.413 4 ↓

Parameters Provided:

ring.id = 40985
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 = 40985 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=40985&filter.purchasability=annotated

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