UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-chloro-N-[8-(4-dimethylaminophenyl)-3,3-dioxo-3$l^{6},6-dithia-8-azabicyclo[3.3.0]oct-7-ylidene]-b 4-chloro-N-[8-(4-dimethylaminoph…

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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) 3.39 -5.32 -17.09 0 6 0 70 449.985 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-[8-(4-dimethylaminophenyl)-3,3-dioxo-3$l^{6},6-dithia-8-azabicyclo[3.3.0]oct-7-ylidene]-b 4-chloro-N-[8-(4-dimethylaminoph…

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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) 3.39 -5.34 -16.01 0 6 0 70 449.985 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-[8-(4-dimethylaminophenyl)-3,3-dioxo-3$l^{6},6-dithia-8-azabicyclo[3.3.0]oct-7-ylidene]-b 4-chloro-N-[8-(4-dimethylaminoph…

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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) 3.39 -5.33 -16.16 0 6 0 70 449.985 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-[8-(4-dimethylaminophenyl)-3,3-dioxo-3$l^{6},6-dithia-8-azabicyclo[3.3.0]oct-7-ylidene]-b 4-chloro-N-[8-(4-dimethylaminoph…

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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) 3.39 -5.04 -17.23 0 6 0 70 449.985 3 ↓

Analogs

15894634
15894634

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Popular Name: N-(3-(3-methylphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene)benzamide N-(3-(3-methylphenyl)-5,5-dioxid…

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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) 3.03 6.77 -18.09 0 5 0 67 386.498 2 ↓
Ref Reference (pH 7) 3.03 7.37 -17.34 0 5 0 67 386.498 2 ↓
Lo Low (pH 4.5-6) 3.03 8.26 -36.92 1 5 1 68 387.506 2 ↓

Analogs

11990773
11990773
11990774
11990774
11990775
11990775

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Popular Name: BRD-A27443453-001-01-8 BRD-A27443453-001-01-8

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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) 3.84 8.48 -19.65 0 5 0 67 465.394 2 ↓
Ref Reference (pH 7) 3.84 7.27 -19.43 0 5 0 67 465.394 2 ↓

Analogs

11990774
11990774
11990775
11990775
11990772
11990772

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Popular Name: BRD-A27443453-001-01-8 BRD-A27443453-001-01-8

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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) 3.84 7.99 -15.51 0 5 0 67 465.394 2 ↓
Ref Reference (pH 7) 3.84 7.39 -16.27 0 5 0 67 465.394 2 ↓

Analogs

11990775
11990775
11990772
11990772
11990773
11990773

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Popular Name: BRD-A27443453-001-01-8 BRD-A27443453-001-01-8

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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) 3.84 8 -15.47 0 5 0 67 465.394 2 ↓

Analogs

11990772
11990772
11990773
11990773

Draw Identity 99% 90% 80% 70%

Popular Name: BRD-A27443453-001-01-8 BRD-A27443453-001-01-8

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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) 3.84 -5.47 -16.53 0 5 0 67 465.394 2 ↓

Analogs

4168095
4168095
15899759
15899759
15899761
15899761

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Popular Name: N-(3,3-dioxo-8-phenyl-3$l^{6},6-dithia-8-azabicyclo[3.3.0]oct-7-ylidene)-2-methoxy-benzamide N-(3,3-dioxo-8-phenyl-3$l^{6},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) 3.16 7.66 -24.63 0 6 0 76 402.497 3 ↓
Lo Low (pH 4.5-6) 3.16 7.93 -39.51 1 6 1 78 403.505 3 ↓

Analogs

15899759
15899759
15899761
15899761
4168091
4168091

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Popular Name: N-(3,3-dioxo-8-phenyl-3$l^{6},6-dithia-8-azabicyclo[3.3.0]oct-7-ylidene)-2-methoxy-benzamide N-(3,3-dioxo-8-phenyl-3$l^{6},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) 3.16 7.15 -20.51 0 6 0 76 402.497 3 ↓
Lo Low (pH 4.5-6) 3.16 8.04 -37.9 1 6 1 78 403.505 3 ↓

Parameters Provided:

ring.id = 7330
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 = 7330 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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