UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

9422583
9422583
9422582
9422582

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Popular Name: (2Z)-8-cyclohexyl-4-methyl-2-[(1-methylindol-3-yl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3 (2Z)-8-cyclohexyl-4-methyl-2-[(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) 5.35 11.24 -10.26 0 5 0 48 428.532 2 ↓
Mid Mid (pH 6-8) 5.35 14.22 -50.59 1 5 1 49 429.54 2 ↓

Analogs

9422450
9422450
9422449
9422449

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Popular Name: (2Z)-8-cyclohexyl-2-[(1-ethylindol-3-yl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3- (2Z)-8-cyclohexyl-2-[(1-ethylind…

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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) 5.72 12.16 -9.84 0 5 0 48 442.559 3 ↓
Mid Mid (pH 6-8) 5.72 15.14 -50.49 1 5 1 49 443.567 3 ↓

Analogs

8993373
8993373
8993374
8993374

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Popular Name: (2Z)-8-cyclohexyl-2-[(5-methoxy-1-methyl-indol-3-yl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1,3]b (2Z)-8-cyclohexyl-2-[(5-methoxy-…

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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) 5.38 10.53 -12.28 0 6 0 57 458.558 3 ↓
Mid Mid (pH 6-8) 5.38 13.51 -53.66 1 6 1 58 459.566 3 ↓

Analogs

8991447
8991447
8991448
8991448

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Popular Name: (2Z)-8-cyclohexyl-2-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1,3]be (2Z)-8-cyclohexyl-2-[(1-ethyl-5-…

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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) 5.76 11.45 -11.93 0 6 0 57 472.585 4 ↓
Mid Mid (pH 6-8) 5.76 14.43 -53.44 1 6 1 58 473.593 4 ↓

Analogs

9422582
9422582
9422583
9422583

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Popular Name: (2E)-8-cyclohexyl-2-[(1-methylindol-3-yl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2E)-8-cyclohexyl-2-[(1-methylin…

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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) 4.97 10.41 -9 0 5 0 48 414.505 2 ↓
Mid Mid (pH 6-8) 4.97 13.4 -43.77 1 5 1 49 415.513 2 ↓

Analogs

9422449
9422449

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Popular Name: (2E)-8-cyclohexyl-2-[(1-ethylindol-3-yl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2E)-8-cyclohexyl-2-[(1-ethylind…

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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) 5.35 11.54 -8.93 0 5 0 48 428.532 3 ↓
Mid Mid (pH 6-8) 5.35 14.32 -43.42 1 5 1 49 429.54 3 ↓

Analogs

8993373
8993373
8993374
8993374

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Popular Name: (2E)-8-cyclohexyl-2-[(5-methoxy-1-methyl-indol-3-yl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin (2E)-8-cyclohexyl-2-[(5-methoxy-…

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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) 5.00 9.9 -10.54 0 6 0 57 444.531 3 ↓
Mid Mid (pH 6-8) 5.00 12.69 -44.44 1 6 1 58 445.539 3 ↓

Analogs

8991447
8991447
8991448
8991448

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Popular Name: (2E)-8-cyclohexyl-2-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin- (2E)-8-cyclohexyl-2-[(1-ethyl-5-…

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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) 5.38 10.83 -10.32 0 6 0 57 458.558 4 ↓
Mid Mid (pH 6-8) 5.38 13.61 -44.03 1 6 1 58 459.566 4 ↓

Parameters Provided:

ring.id = 561869
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 = 561869 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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