UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (8-methyl-4,5-dihydro-1H-furo[5,4-g]indazol-7-yl)-morpholino-methanone (8-methyl-4,5-dihydro-1H-furo[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) 1.23 4.17 -11.33 1 6 0 71 287.319 1 ↓

Analogs

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Popular Name: N-(2-furylmethyl)-8-methyl-4,5-dihydro-1H-furo[5,4-g]indazole-7-carboxamide N-(2-furylmethyl)-8-methyl-4,5-d…

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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) 1.79 4.64 -11.61 2 6 0 84 297.314 3 ↓

Analogs

20900764
20900764

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Popular Name: N-(2-diethylaminoethyl)-8-methyl-4,5-dihydro-1H-furo[5,4-g]indazole-7-carboxamide N-(2-diethylaminoethyl)-8-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) 1.92 6.07 -45.68 3 6 1 75 317.413 6 ↓

Analogs

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Popular Name: 8-methyl-N-(3-morpholinopropyl)-4,5-dihydro-1H-furo[5,4-g]indazole-7-carboxamide 8-methyl-N-(3-morpholinopropyl)-…

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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) 1.28 2.8 -12.99 2 7 0 83 344.415 5 ↓
Mid Mid (pH 6-8) 1.28 5.18 -54.85 3 7 1 85 345.423 5 ↓

Analogs

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Popular Name: N-isopentyl-8-methyl-4,5-dihydro-1H-furo[5,4-g]indazole-7-carboxamide N-isopentyl-8-methyl-4,5-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) 2.79 5.56 -11.06 2 5 0 71 287.363 4 ↓

Analogs

20900743
20900743

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Popular Name: 8-methyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]-4,5-dihydro-1H-furo[5,4-g]indazole-7-carboxamide 8-methyl-N-[[(2S)-tetrahydrofura…

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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) 1.51 3.77 -11.68 2 6 0 80 301.346 3 ↓

Analogs

20900741
20900741

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Popular Name: 8-methyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]-4,5-dihydro-1H-furo[5,4-g]indazole-7-carboxamide 8-methyl-N-[[(2R)-tetrahydrofura…

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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) 1.51 3.83 -11.59 2 6 0 80 301.346 3 ↓

Analogs

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Popular Name: 8-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4,5-dihydro-1H-furo[5,4-g]indazole-7-carboxamide 8-methyl-N-[3-(2-oxopyrrolidin-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) 1.16 5.37 -18.32 2 7 0 91 342.399 5 ↓

Analogs

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Popular Name: N-(2,5-difluorophenyl)-8-methyl-4,5-dihydro-1H-furo[5,4-g]indazole-7-carboxamide N-(2,5-difluorophenyl)-8-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) 3.09 6.59 -11.48 2 5 0 71 329.306 2 ↓

Analogs

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Popular Name: 8-methyl-N-(2-thienylmethyl)-4,5-dihydro-1H-furo[5,4-g]indazole-7-carboxamide 8-methyl-N-(2-thienylmethyl)-4,5…

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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) 2.43 5.63 -10.69 2 5 0 71 313.382 3 ↓

Analogs

20900757
20900757

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Popular Name: N-(3-ethoxypropyl)-8-methyl-4,5-dihydro-1H-furo[5,4-g]indazole-7-carboxamide N-(3-ethoxypropyl)-8-methyl-4,5-…

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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) 1.77 4.3 -11.79 2 6 0 80 303.362 6 ↓

Analogs

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Popular Name: N-[2-(1-cyclohexenyl)ethyl]-8-methyl-4,5-dihydro-1H-furo[5,4-g]indazole-7-carboxamide N-[2-(1-cyclohexenyl)ethyl]-8-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) 3.51 7.52 -11.45 2 5 0 71 325.412 4 ↓

Analogs

20900753
20900753

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Popular Name: N-(3-methoxypropyl)-8-methyl-4,5-dihydro-1H-furo[5,4-g]indazole-7-carboxamide N-(3-methoxypropyl)-8-methyl-4,5…

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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) 1.39 3.33 -11.79 2 6 0 80 289.335 5 ↓

Analogs

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Popular Name: 8-methyl-N-(2-morpholinoethyl)-4,5-dihydro-1H-furo[5,4-g]indazole-7-carboxamide 8-methyl-N-(2-morpholinoethyl)-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) 1.01 2.01 -12.86 2 7 0 83 330.388 4 ↓
Mid Mid (pH 6-8) 1.01 4.4 -52.97 3 7 1 85 331.396 4 ↓

Analogs

20900762
20900762

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Popular Name: N-[3-(4-ethylpiperazin-1-yl)propyl]-8-methyl-4,5-dihydro-1H-furo[5,4-g]indazole-7-carboxamide N-[3-(4-ethylpiperazin-1-yl)prop…

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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) 1.70 5.8 -44.27 3 7 1 79 372.493 6 ↓
Hi High (pH 8-9.5) 1.70 3.53 -17.14 2 7 0 77 371.485 6 ↓

Analogs

20900761
20900761

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Popular Name: 8-methyl-N-[3-(4-propylpiperazin-1-yl)propyl]-4,5-dihydro-1H-furo[5,4-g]indazole-7-carboxamide 8-methyl-N-[3-(4-propylpiperazin…

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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) 2.21 6.55 -45 3 7 1 79 386.52 7 ↓
Hi High (pH 8-9.5) 2.21 4.28 -17.05 2 7 0 77 385.512 7 ↓

Analogs

20900736
20900736

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Popular Name: 8-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-4,5-dihydro-1H-furo[5,4-g]indazole-7-carboxamide 8-methyl-N-[2-(4-methylpiperazin…

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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) 1.06 4.35 -45.2 3 7 1 79 344.439 4 ↓
Hi High (pH 8-9.5) 1.06 1.92 -17.55 2 7 0 77 343.431 4 ↓

Analogs

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Popular Name: N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-8-methyl-4,5-dihydro-1H-furo[5,4-g]indazole-7-carboxamide N-[3-(4-cyclohexylpiperazin-1-yl…

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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) 3.23 7.95 -45.38 3 7 1 79 426.585 6 ↓
Hi High (pH 8-9.5) 3.23 5.73 -16.75 2 7 0 77 425.577 6 ↓

Parameters Provided:

ring.id = 82586
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 = 82586 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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