UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-(4-chlorophenoxy)-N,2-dimethyl-N-[(5-methyl-3-oxo-2,6-diazabicyclo[5.4.0]undeca-8,10,12-trien-6-yl 2-(4-chlorophenoxy)-N,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) 4.70 0.72 -18.5 1 7 0 79 443.931 5 ↓

Analogs

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Popular Name: 2-(4-chlorophenoxy)-N,2-dimethyl-N-[(5-methyl-3-oxo-2,6-diazabicyclo[5.4.0]undeca-8,10,12-trien-6-yl 2-(4-chlorophenoxy)-N,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) 4.70 0.74 -22.71 1 7 0 79 443.931 5 ↓

Analogs

16421200
16421200
16421201
16421201

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Popular Name: N-methyl-N-[(3-methyl-5-oxo-2,6-diazabicyclo[5.4.0]undeca-8,10,12-trien-2-yl)carbonylmethyl]-2-(3-me N-methyl-N-[(3-methyl-5-oxo-2,6-…

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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) 3.63 1.07 -25.8 1 7 0 79 395.459 5 ↓

Analogs

16421200
16421200
16421201
16421201

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Popular Name: N-methyl-N-[(3-methyl-5-oxo-2,6-diazabicyclo[5.4.0]undeca-8,10,12-trien-2-yl)carbonylmethyl]-2-(3-me N-methyl-N-[(3-methyl-5-oxo-2,6-…

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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) 3.63 1.07 -20.9 1 7 0 79 395.459 5 ↓

Analogs

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Popular Name: N-methyl-N-[(3-methyl-5-oxo-2,6-diazabicyclo[5.4.0]undeca-8,10,12-trien-2-yl)carbonylmethyl]-2-(4-me N-methyl-N-[(3-methyl-5-oxo-2,6-…

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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) 4.02 1.34 -20.45 1 7 0 79 409.486 5 ↓

Analogs

39225746
39225746

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Popular Name: N-methyl-N-[(3-methyl-5-oxo-2,6-diazabicyclo[5.4.0]undeca-8,10,12-trien-2-yl)carbonylmethyl]-2-(4-me N-methyl-N-[(3-methyl-5-oxo-2,6-…

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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) 4.02 1.25 -20.86 1 7 0 79 409.486 5 ↓

Analogs

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Popular Name: N-methyl-N-[(3-methyl-5-oxo-2,6-diazabicyclo[5.4.0]undeca-8,10,12-trien-2-yl)carbonylmethyl]-2-(4-me N-methyl-N-[(3-methyl-5-oxo-2,6-…

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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) 4.02 1.17 -23.74 1 7 0 79 409.486 5 ↓

Analogs

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Popular Name: N-methyl-N-[(3-methyl-5-oxo-2,6-diazabicyclo[5.4.0]undeca-8,10,12-trien-2-yl)carbonylmethyl]-2-(4-me N-methyl-N-[(3-methyl-5-oxo-2,6-…

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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) 4.02 1.35 -19.57 1 7 0 79 409.486 5 ↓

Analogs

13011919
13011919

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Popular Name: 2-(2-fluorophenoxy)-N-methyl-N-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxo- 2-(2-fluorophenoxy)-N-methyl-N-[…

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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) 3.33 8.94 -24.47 1 7 0 79 399.422 5 ↓

Analogs

13011918
13011918

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Popular Name: 2-(2-fluorophenoxy)-N-methyl-N-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxo- 2-(2-fluorophenoxy)-N-methyl-N-[…

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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) 3.33 8.93 -30.43 1 7 0 79 399.422 5 ↓

Analogs

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Popular Name: 2-(3-bromophenoxy)-N-methyl-N-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxo-e 2-(3-bromophenoxy)-N-methyl-N-[2…

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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) 3.99 9.51 -20.26 1 7 0 79 460.328 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-bromophenoxy)-N-methyl-N-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxo-e 2-(3-bromophenoxy)-N-methyl-N-[2…

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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) 3.99 9.53 -26.62 1 7 0 79 460.328 5 ↓

Parameters Provided:

ring.id = 10706
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 = 10706 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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