UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

39589857
39589857
39589859
39589859
60187520
60187520
60187523
60187523
15183774
15183774

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Popular Name: acetonylsulfanyl-phenyl-BLAHone acetonylsulfanyl-phenyl-BLAHone

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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) 2.67 10.74 -19.29 0 6 0 70 368.462 4 ↓

Analogs

20894687
20894687
9965660
9965660
9965661
9965661

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Popular Name: (2R)-N-methyl-2-(oxo-phenyl-BLAHyl)sulfanyl-N-phenyl-propanamide (2R)-N-methyl-2-(oxo-phenyl-BLAH…

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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) 4.53 14.63 -19.53 0 7 0 73 473.602 5 ↓

Analogs

20894685
20894685
9965660
9965660
9965661
9965661

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Popular Name: (2S)-N-methyl-2-(oxo-phenyl-BLAHyl)sulfanyl-N-phenyl-propanamide (2S)-N-methyl-2-(oxo-phenyl-BLAH…

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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) 4.53 14.66 -19.62 0 7 0 73 473.602 5 ↓

Analogs

9965599
9965599
9965600
9965600
20793038
20793038
20793041
20793041
9965578
9965578

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Popular Name: N-(4-methylcyclohexyl)-2-(oxo-phenyl-BLAHyl)sulfanyl-acetamide N-(4-methylcyclohexyl)-2-(oxo-ph…

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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 12.89 -18.93 1 7 0 82 465.623 5 ↓

Analogs

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Popular Name: N-[(3-fluorophenyl)methyl]-N-methyl-2-(oxo-phenyl-BLAHyl)sulfanyl-acetamide N-[(3-fluorophenyl)methyl]-N-met…

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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) 4.01 14.5 -20.75 0 7 0 73 491.592 6 ↓

Analogs

12980846
12980846
12982942
12982942
15183819
15183819
59352980
59352980
59503766
59503766

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Popular Name: N-(4-dimethylaminophenyl)-2-(oxo-phenyl-BLAHyl)sulfanyl-acetamide N-(4-dimethylaminophenyl)-2-(oxo…

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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) 4.03 12.55 -21.61 1 8 0 85 488.617 6 ↓

Analogs

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Popular Name: N-(2-furylmethyl)-N-methyl-2-(oxo-phenyl-BLAHyl)sulfanyl-acetamide N-(2-furylmethyl)-N-methyl-2-(ox…

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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) 3.13 12.55 -22.77 0 8 0 86 463.563 6 ↓

Analogs

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Popular Name: [2-(4-ethoxyphenyl)-2-oxo-ethyl]sulfanyl-phenyl-BLAHone [2-(4-ethoxyphenyl)-2-oxo-ethyl]…

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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) 4.70 13.97 -19.78 0 7 0 79 474.586 7 ↓

Analogs

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Popular Name: phenyl-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfanyl]BLAHone phenyl-[[4-(pyrrolidine-1-carbon…

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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) 4.08 15.02 -24.88 0 7 0 73 499.64 5 ↓

Analogs

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Popular Name: [2-(4-methoxyphenyl)-2-oxo-ethyl]sulfanyl-phenyl-BLAHone [2-(4-methoxyphenyl)-2-oxo-ethyl…

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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) 4.32 13.05 -20.04 0 7 0 79 460.559 6 ↓

Analogs

14565822
14565822

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Popular Name: (2R)-N-(isobutylcarbamoyl)-2-(oxo-phenyl-BLAHyl)sulfanyl-propanamide (2R)-N-(isobutylcarbamoyl)-2-(ox…

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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) 3.36 11.85 -25.86 2 9 0 111 482.61 6 ↓

Analogs

14565820
14565820

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Popular Name: (2S)-N-(isobutylcarbamoyl)-2-(oxo-phenyl-BLAHyl)sulfanyl-propanamide (2S)-N-(isobutylcarbamoyl)-2-(ox…

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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) 3.36 11.84 -25.79 2 9 0 111 482.61 6 ↓

Parameters Provided:

ring.id = 76862
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 = 76862 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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