UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12402263
12402263

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Popular Name: (4R)-2-amino-1-dimethylamino-1'-[(4-fluorophenyl)methyl]-7,7-dimethyl-2',5-dioxo-spiro[6,8-dihydroqu (4R)-2-amino-1-dimethylamino-1'-…

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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) 2.69 3.05 -23.52 2 7 0 94 485.563 3 ↓

Analogs

12402262
12402262

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Popular Name: (4S)-2-amino-1-dimethylamino-1'-[(4-fluorophenyl)methyl]-7,7-dimethyl-2',5-dioxo-spiro[6,8-dihydroqu (4S)-2-amino-1-dimethylamino-1'-…

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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) 2.69 3.59 -23.1 2 7 0 94 485.563 3 ↓

Analogs

12402265
12402265
12413948
12413948
12413949
12413949

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Popular Name: (4R)-2-amino-1-dimethylamino-1'-[(3-fluorophenyl)methyl]-7,7-dimethyl-2',5-dioxo-spiro[6,8-dihydroqu (4R)-2-amino-1-dimethylamino-1'-…

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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 3.01 -21.51 2 7 0 94 485.563 3 ↓

Analogs

12413948
12413948
12413949
12413949
12402264
12402264

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Popular Name: (4S)-2-amino-1-dimethylamino-1'-[(3-fluorophenyl)methyl]-7,7-dimethyl-2',5-dioxo-spiro[6,8-dihydroqu (4S)-2-amino-1-dimethylamino-1'-…

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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 3.57 -21.56 2 7 0 94 485.563 3 ↓

Analogs

12402267
12402267
12413950
12413950
12413951
12413951

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Popular Name: (4R)-2-amino-1'-benzyl-1-dimethylamino-7,7-dimethyl-2',5-dioxo-spiro[6,8-dihydroquinoline-4,3'-indol (4R)-2-amino-1'-benzyl-1-dimethy…

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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) 2.53 2.31 -24.69 2 7 0 94 467.573 3 ↓

Analogs

12413950
12413950
12413951
12413951
12402266
12402266

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Popular Name: (4S)-2-amino-1'-benzyl-1-dimethylamino-7,7-dimethyl-2',5-dioxo-spiro[6,8-dihydroquinoline-4,3'-indol (4S)-2-amino-1'-benzyl-1-dimethy…

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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) 2.53 2.85 -24.34 2 7 0 94 467.573 3 ↓

Analogs

12402269
12402269
12413952
12413952
12413953
12413953

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Popular Name: (4R)-2-amino-1'-[(2-chlorophenyl)methyl]-1-dimethylamino-7,7-dimethyl-2',5-dioxo-spiro[6,8-dihydroqu (4R)-2-amino-1'-[(2-chlorophenyl…

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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 2.14 -22.32 2 7 0 94 502.018 3 ↓

Analogs

12413952
12413952
12413953
12413953
12402268
12402268

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Popular Name: (4S)-2-amino-1'-[(2-chlorophenyl)methyl]-1-dimethylamino-7,7-dimethyl-2',5-dioxo-spiro[6,8-dihydroqu (4S)-2-amino-1'-[(2-chlorophenyl…

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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 2.67 -24.35 2 7 0 94 502.018 3 ↓

Analogs

12402271
12402271
12413954
12413954
12413955
12413955

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Popular Name: (4R)-2-amino-1-dimethylamino-1'-[(2-fluorophenyl)methyl]-7,7-dimethyl-2',5-dioxo-spiro[6,8-dihydroqu (4R)-2-amino-1-dimethylamino-1'-…

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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) 2.64 2.82 -25.94 2 7 0 94 485.563 3 ↓

Analogs

12413954
12413954
12413955
12413955
12402270
12402270

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Popular Name: (4S)-2-amino-1-dimethylamino-1'-[(2-fluorophenyl)methyl]-7,7-dimethyl-2',5-dioxo-spiro[6,8-dihydroqu (4S)-2-amino-1-dimethylamino-1'-…

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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) 2.64 3.28 -23.44 2 7 0 94 485.563 3 ↓

Parameters Provided:

ring.id = 100937
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 = 100937 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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