UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (4-methoxyphenyl)-dimethyl-thioxo-BLAHone (4-methoxyphenyl)-dimethyl-thiox…

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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) 3.66 11.52 -42.07 0 7 -1 71 413.504 2 ↓

Analogs

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Popular Name: isopropyl-(2-methylallylthio)-phenyl-BLAHone isopropyl-(2-methylallylthio)-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) 5.30 15.81 -12.73 0 6 0 61 452.605 5 ↓

Analogs

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Popular Name: isopropyl-(2-methylallylthio)-phenyl-BLAHone isopropyl-(2-methylallylthio)-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) 5.30 15.73 -12.79 0 6 0 61 452.605 5 ↓

Analogs

1246603
1246603

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Popular Name: (butylthio)-isopropyl-(4-methoxyphenyl)BLAHone (butylthio)-isopropyl-(4-methoxy…

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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) 5.60 15.38 -13.16 0 7 0 71 484.647 7 ↓

Analogs

1246603
1246603

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Popular Name: (butylthio)-isopropyl-(4-methoxyphenyl)BLAHone (butylthio)-isopropyl-(4-methoxy…

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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) 5.60 1.38 -12.55 0 7 0 70 484.647 7 ↓

Analogs

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Popular Name: 7-ethyl-1-(hexylsulfanyl)-4,7-dimethyl-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one 7-ethyl-1-(hexylsulfanyl)-4,7-di…

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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) 5.48 0.91 -9.34 0 6 0 61 420.604 7 ↓

Analogs

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Popular Name: 7-ethyl-1-(hexylsulfanyl)-4,7-dimethyl-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one 7-ethyl-1-(hexylsulfanyl)-4,7-di…

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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) 5.48 0.96 -9.35 0 6 0 61 420.604 7 ↓

Analogs

1247576
1247576
1247577
1247577

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Popular Name: benzyl-isopropyl-(propylthio)BLAHone benzyl-isopropyl-(propylthio)BLA…

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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) 5.31 15.94 -9.44 0 6 0 61 454.621 6 ↓

Analogs

1247576
1247576
1247577
1247577

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Popular Name: benzyl-isopropyl-(propylthio)BLAHone benzyl-isopropyl-(propylthio)BLA…

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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) 5.31 15.86 -9.48 0 6 0 61 454.621 6 ↓

Analogs

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Popular Name: (heptylthio)-trimethyl-BLAHone (heptylthio)-trimethyl-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) 5.49 14.1 -10.09 0 6 0 61 420.604 7 ↓

Analogs

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Popular Name: 2-[(keto-dimethyl-phenethyl-BLAHyl)thio]-N-(3-methoxyphenyl)acetamide 2-[(keto-dimethyl-phenethyl-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) 5.17 15.48 -16.73 1 9 0 100 575.716 8 ↓

Analogs

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Popular Name: (2S)-2-[(benzyl-isopropyl-keto-BLAHyl)thio]-N-phenyl-propionamide (2S)-2-[(benzyl-isopropyl-keto-B…

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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) 5.59 17.06 -13.19 1 8 0 91 559.717 7 ↓

Analogs

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Popular Name: (2S)-2-[(benzyl-isopropyl-keto-BLAHyl)thio]-N-phenyl-propionamide (2S)-2-[(benzyl-isopropyl-keto-B…

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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) 5.59 16.99 -13.18 1 8 0 91 559.717 7 ↓

Analogs

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Popular Name: (2R)-2-[(benzyl-isopropyl-keto-BLAHyl)thio]-N-phenyl-propionamide (2R)-2-[(benzyl-isopropyl-keto-B…

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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) 5.59 17.06 -13.06 1 8 0 91 559.717 7 ↓

Analogs

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Popular Name: (2R)-2-[(benzyl-isopropyl-keto-BLAHyl)thio]-N-phenyl-propionamide (2R)-2-[(benzyl-isopropyl-keto-B…

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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) 5.59 16.98 -13.11 1 8 0 91 559.717 7 ↓

Parameters Provided:

ring.id = 2097
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 = 2097 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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