UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

5779086
5779086
5779089
5779089
5779090
5779090

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

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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) 5.09 -0.6 -9.26 0 5 0 59 393.512 4 ↓

Analogs

5779089
5779089
5779090
5779090
5779084
5779084

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

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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) 5.09 -0.5 -11.53 0 5 0 59 393.512 4 ↓

Analogs

5779090
5779090
5779084
5779084
5779086
5779086

Draw Identity 99% 90% 80% 70%

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

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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) 5.09 -0.61 -9.27 0 5 0 59 393.512 4 ↓

Analogs

5779084
5779084
5779086
5779086
5779089
5779089

Draw Identity 99% 90% 80% 70%

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

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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) 5.09 -0.66 -9.2 0 5 0 59 393.512 4 ↓

Analogs

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Popular Name: 2-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-indolin-1-yl-ethanone 2-[[5-(2-ethoxyphenyl)-1,3,4-oxa…

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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) 3.95 6.42 -12.92 0 6 0 68 381.457 6 ↓

Analogs

5391917
5391917
5391918
5391918

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Popular Name: (2R)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-[(2R)-2-methylindolin-1-yl]propan-1-one (2R)-2-[[5-(3-chlorophenyl)-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) 4.92 7.65 -8.98 0 5 0 59 399.903 4 ↓

Analogs

5391917
5391917
5391918
5391918

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Popular Name: (2R)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-[(2S)-2-methylindolin-1-yl]propan-1-one (2R)-2-[[5-(3-chlorophenyl)-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) 4.92 7.84 -11.51 0 5 0 59 399.903 4 ↓

Analogs

5391917
5391917
5391918
5391918

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-[(2R)-2-methylindolin-1-yl]propan-1-one (2S)-2-[[5-(3-chlorophenyl)-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) 4.92 7.65 -8.86 0 5 0 59 399.903 4 ↓

Analogs

5391917
5391917
5391918
5391918

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-[(2S)-2-methylindolin-1-yl]propan-1-one (2S)-2-[[5-(3-chlorophenyl)-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) 4.92 7.62 -9.04 0 5 0 59 399.903 4 ↓

Analogs

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

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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) 4.33 8 -12.24 0 5 0 59 365.458 4 ↓

Analogs

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

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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) 4.33 8 -12.21 0 5 0 59 365.458 4 ↓

Parameters Provided:

ring.id = 2445
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 = 2445 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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