UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (7Z)-3-(2-methoxyethyl)-9-methyl-7-[(1-methylindol-3-yl)methylene]-2,4-dihydrofuro[3,2-g][1,3]benzox (7Z)-3-(2-methoxyethyl)-9-methyl…

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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) 3.43 8.23 -12.8 0 6 0 57 404.466 4 ↓
Lo Low (pH 4.5-6) 3.43 11.11 -48.45 1 6 1 58 405.474 4 ↓

Analogs

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Popular Name: (7Z)-3-isopropyl-9-methyl-7-[(1-methylindol-3-yl)methylene]-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6- (7Z)-3-isopropyl-9-methyl-7-[(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) 4.12 9.47 -10.55 0 5 0 48 388.467 2 ↓
Mid Mid (pH 6-8) 4.12 12.44 -45.58 1 5 1 49 389.475 2 ↓

Analogs

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Popular Name: (7Z)-3-(3-methoxypropyl)-9-methyl-7-[(1-methylindol-3-yl)methylene]-2,4-dihydrofuro[3,2-g][1,3]benzo (7Z)-3-(3-methoxypropyl)-9-methy…

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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) 3.70 8.92 -12.31 0 6 0 57 418.493 5 ↓
Lo Low (pH 4.5-6) 3.70 11.78 -51.79 1 6 1 58 419.501 5 ↓

Analogs

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Popular Name: (7Z)-3-isobutyl-9-methyl-7-[(1-methylindol-3-yl)methylene]-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-o (7Z)-3-isobutyl-9-methyl-7-[(1-m…

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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) 4.56 10.87 -10.47 0 5 0 48 402.494 3 ↓
Mid Mid (pH 6-8) 4.56 13.38 -48.4 1 5 1 49 403.502 3 ↓

Analogs

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Popular Name: (7Z)-7-[(1-ethylindol-3-yl)methylene]-3-(2-methoxyethyl)-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benzoxa (7Z)-7-[(1-ethylindol-3-yl)methy…

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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) 3.80 9.14 -12.44 0 6 0 57 418.493 5 ↓
Lo Low (pH 4.5-6) 3.80 12.02 -48.1 1 6 1 58 419.501 5 ↓

Analogs

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Popular Name: (7Z)-7-[(1-ethylindol-3-yl)methylene]-3-isopropyl-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-o (7Z)-7-[(1-ethylindol-3-yl)methy…

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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) 4.49 10.38 -10.26 0 5 0 48 402.494 3 ↓
Mid Mid (pH 6-8) 4.49 13.36 -45.25 1 5 1 49 403.502 3 ↓

Analogs

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Popular Name: (7Z)-7-[(1-ethylindol-3-yl)methylene]-3-(3-methoxypropyl)-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benzox (7Z)-7-[(1-ethylindol-3-yl)methy…

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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) 4.07 9.83 -12.01 0 6 0 57 432.52 6 ↓
Lo Low (pH 4.5-6) 4.07 12.69 -51.43 1 6 1 58 433.528 6 ↓

Analogs

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Popular Name: (7Z)-7-[(1-ethylindol-3-yl)methylene]-3-isobutyl-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-on (7Z)-7-[(1-ethylindol-3-yl)methy…

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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) 4.94 11.78 -10.1 0 5 0 48 416.521 4 ↓
Mid Mid (pH 6-8) 4.94 14.3 -47.66 1 5 1 49 417.529 4 ↓

Analogs

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Popular Name: (7Z)-3-(2-methoxyethyl)-7-[(5-methoxy-1-methyl-indol-3-yl)methylene]-9-methyl-2,4-dihydrofuro[3,2-g] (7Z)-3-(2-methoxyethyl)-7-[(5-me…

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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) 3.46 7.52 -14.76 0 7 0 66 434.492 5 ↓
Lo Low (pH 4.5-6) 3.46 10.39 -50.29 1 7 1 67 435.5 5 ↓

Analogs

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Popular Name: (7Z)-3-isopropyl-7-[(5-methoxy-1-methyl-indol-3-yl)methylene]-9-methyl-2,4-dihydrofuro[3,2-g][1,3]be (7Z)-3-isopropyl-7-[(5-methoxy-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) 4.15 8.76 -12.56 0 6 0 57 418.493 3 ↓
Mid Mid (pH 6-8) 4.15 11.74 -47.44 1 6 1 58 419.501 3 ↓

Analogs

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Popular Name: (7Z)-7-[(5-methoxy-1-methyl-indol-3-yl)methylene]-3-(3-methoxypropyl)-9-methyl-2,4-dihydrofuro[3,2-g (7Z)-7-[(5-methoxy-1-methyl-indo…

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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) 3.73 8.21 -14.26 0 7 0 66 448.519 6 ↓
Lo Low (pH 4.5-6) 3.73 11.07 -53.6 1 7 1 67 449.527 6 ↓

Analogs

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Popular Name: (7Z)-3-isobutyl-7-[(5-methoxy-1-methyl-indol-3-yl)methylene]-9-methyl-2,4-dihydrofuro[3,2-g][1,3]ben (7Z)-3-isobutyl-7-[(5-methoxy-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) 4.60 10.18 -12.63 0 6 0 57 432.52 4 ↓
Mid Mid (pH 6-8) 4.60 12.66 -50.25 1 6 1 58 433.528 4 ↓

Analogs

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

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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 8.43 -14.36 0 7 0 66 448.519 6 ↓
Lo Low (pH 4.5-6) 3.84 11.31 -49.94 1 7 1 67 449.527 6 ↓

Analogs

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Popular Name: (7Z)-7-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-3-isopropyl-9-methyl-2,4-dihydrofuro[3,2-g][1,3]ben (7Z)-7-[(1-ethyl-5-methoxy-indol…

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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) 4.52 9.67 -12.14 0 6 0 57 432.52 4 ↓
Mid Mid (pH 6-8) 4.52 12.65 -47.03 1 6 1 58 433.528 4 ↓

Analogs

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

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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) 4.11 9.12 -13.82 0 7 0 66 462.546 7 ↓
Lo Low (pH 4.5-6) 4.11 11.99 -53.21 1 7 1 67 463.554 7 ↓

Analogs

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Popular Name: (7Z)-7-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-3-isobutyl-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benz (7Z)-7-[(1-ethyl-5-methoxy-indol…

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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 11.08 -12.03 0 6 0 57 446.547 5 ↓
Mid Mid (pH 6-8) 4.97 13.58 -49.87 1 6 1 58 447.555 5 ↓

Parameters Provided:

ring.id = 551077
filter.purchasability = annotated
page.format = targets
page.num = 1

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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 = 551077 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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