UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

13751021
13751021

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Popular Name: BRD-A00759752-001-01-6 BRD-A00759752-001-01-6

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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) 3.98 10.16 -10.15 0 8 0 87 488.635 6 ↓

Analogs

13751021
13751021

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Popular Name: BRD-A00759752-001-01-6 BRD-A00759752-001-01-6

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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) 3.98 10.16 -10.17 0 8 0 87 488.635 6 ↓

Analogs

19851343
19851343
19939619
19939619

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Popular Name: dimethyl-morpholino-propylsulfanyl-BLAH dimethyl-morpholino-propylsulfan…

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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) 4.26 8.97 -7.35 0 6 0 60 430.599 4 ↓

Analogs

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Popular Name: dimethyl-methylsulfanyl-morpholino-N-pentyl-BLAHamine dimethyl-methylsulfanyl-morpholi…

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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) 6.06 9.69 -8.93 1 7 0 72 487.695 7 ↓

Analogs

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Popular Name: ethyl 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) 2.61 9.64 -41.36 0 9 -1 110 515.637 6 ↓
Mid Mid (pH 6-8) 3.15 9.72 -9.71 0 9 0 104 516.645 7 ↓

Analogs

34632145
34632145

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Popular Name: N'-(dimethyl-morpholino-BLAHyl)-N,N-diethyl-propane-1,3-diamine N'-(dimethyl-morpholino-BLAHyl)-…

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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) 3.69 10.56 -43.42 2 8 1 77 485.678 8 ↓

Analogs

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Popular Name: dimethyl-(2-methylprop-2-enylsulfanyl)-methylsulfanyl-morpholino-BLAH dimethyl-(2-methylprop-2-enylsul…

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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) 6.04 9.97 -8.05 0 6 0 60 488.704 5 ↓

Analogs

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Popular Name: 2-(dimethyl-methylsulfanyl-morpholino-BLAHyl)sulfanylethanol 2-(dimethyl-methylsulfanyl-morph…

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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) 4.22 5.35 -10.44 1 7 0 81 478.665 5 ↓

Analogs

20841793
20841793

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Popular Name: N-(4-aminobutyl)-N-[2,2-dimethyl-5-(4-morpholinyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]amine N-(4-aminobutyl)-N-[2,2-dimethyl…

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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) 1.98 5.83 -52.4 4 8 1 100 443.597 6 ↓

Analogs

8660938
8660938

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Popular Name: 2-[[2,2-dimethyl-5-(4-morpholinyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl](ethyl)amino]ethanol 2-[[2,2-dimethyl-5-(4-morpholiny…

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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) 2.63 5 -10.61 1 8 0 84 443.573 5 ↓

Analogs

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Popular Name: dimethyl-methylsulfanyl-morpholino-N-sec-butyl-BLAHamine dimethyl-methylsulfanyl-morpholi…

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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) 5.32 9.11 -9.02 1 7 0 72 473.668 5 ↓

Analogs

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Popular Name: dimethyl-methylsulfanyl-morpholino-N-sec-butyl-BLAHamine dimethyl-methylsulfanyl-morpholi…

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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) 5.32 9.11 -9.01 1 7 0 72 473.668 5 ↓

Analogs

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Popular Name: N-(3-ethoxypropyl)-dimethyl-methylsulfanyl-morpholino-BLAHamine N-(3-ethoxypropyl)-dimethyl-meth…

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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) 4.74 8.17 -10.02 1 8 0 82 503.694 8 ↓

Analogs

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Popular Name: 5-(dimethyl-methylsulfanyl-morpholino-BLAHyl)sulfanylpentan-2-one 5-(dimethyl-methylsulfanyl-morph…

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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) 4.94 10.19 -13.73 0 7 0 77 518.73 7 ↓

Parameters Provided:

ring.id = 26168
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 = 26168 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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