UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (8-tert-butyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinolin-10-yl)hydrazine (8-tert-butyl-3,4-dihydro-2H-[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) 3.33 5.35 -25.76 4 5 1 71 288.371 2 ↓
Hi High (pH 8-9.5) 3.51 5.32 -27.19 4 5 1 74 288.371 1 ↓

Analogs

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Popular Name: (8-ethyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinolin-10-yl)hydrazine (8-ethyl-3,4-dihydro-2H-[1,4]dio…

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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) 2.18 4.27 -27.38 4 5 1 71 260.317 2 ↓
Hi High (pH 8-9.5) 2.36 4.25 -28.12 4 5 1 74 260.317 1 ↓

Analogs

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Popular Name: (8-isopropyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinolin-10-yl)hydrazine (8-isopropyl-3,4-dihydro-2H-[1,4…

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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 4.75 -26.74 4 5 1 71 274.344 2 ↓
Hi High (pH 8-9.5) 2.84 4.91 -27.73 4 5 1 74 274.344 1 ↓

Analogs

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Popular Name: (8-propyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinolin-10-yl)hydrazine (8-propyl-3,4-dihydro-2H-[1,4]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) 2.69 5.05 -27.79 4 5 1 71 274.344 3 ↓

Analogs

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Popular Name: (8,9-dimethyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinolin-10-yl)hydrazine (8,9-dimethyl-3,4-dihydro-2H-[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) 1.99 4.13 -27.11 4 5 1 71 260.317 1 ↓

Analogs

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Popular Name: (8-methyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinolin-10-yl)hydrazine (8-methyl-3,4-dihydro-2H-[1,4]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) 1.61 3.53 -28.1 4 5 1 71 246.29 1 ↓

Analogs

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Popular Name: [8-(trifluoromethyl)-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinolin-10-yl]hydrazine [8-(trifluoromethyl)-3,4-dihydro…

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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) 2.52 3.65 -9.55 3 5 0 69 299.252 2 ↓

Analogs

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Popular Name: (9-ethyl-8-methyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinolin-10-yl)hydrazine (9-ethyl-8-methyl-3,4-dihydro-2H…

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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) 2.45 4.83 -27.73 4 5 1 71 274.344 2 ↓

Parameters Provided:

ring.id = 17156
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 = 17156 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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