UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(ethylcarbamoyl)-2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide N-(ethylcarbamoyl)-2-[4-(6-fluor…

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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) 2.25 7.71 -59.38 4 6 1 78 345.398 4 ↓
Mid Mid (pH 6-8) 2.25 5.54 -23.04 3 6 0 77 344.39 4 ↓

Analogs

25465024
25465024
25465029
25465029

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Popular Name: (2S)-2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-(isopropylcarbamoyl)propanamide (2S)-2-[4-(6-fluoro-1H-indol-3-y…

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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) 2.38 9.01 -53.64 4 6 1 78 373.452 4 ↓
Mid Mid (pH 6-8) 2.38 6.76 -22.73 3 6 0 77 372.444 4 ↓

Analogs

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Popular Name: 3-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethyl-propanamide 3-[4-(6-fluoro-1H-indol-3-yl)-3,…

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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) 1.80 9.25 -48.19 2 4 1 41 316.4 4 ↓
Mid Mid (pH 6-8) 1.80 7 -10.74 1 4 0 39 315.392 4 ↓

Analogs

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Popular Name: 3-(1-butylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-6-fluoro-1H-indole 3-(1-butylsulfonyl-3,6-dihydro-2…

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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 7.44 -11.87 1 4 0 53 336.432 5 ↓

Analogs

25464930
25464930

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Popular Name: N-[4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-4-oxo-butyl]-2,2-dimethyl-propanamide N-[4-[4-(1H-indol-3-yl)-3,6-dihy…

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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) 3.48 9.27 -17.32 2 5 0 65 367.493 6 ↓

Analogs

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Popular Name: (2S)-2-isopentyloxy-1-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one (2S)-2-isopentyloxy-1-[4-(5-meth…

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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 10.28 -15.97 1 5 0 55 370.493 7 ↓

Analogs

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Popular Name: (2R)-2-isopentyloxy-1-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one (2R)-2-isopentyloxy-1-[4-(5-meth…

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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 10.35 -15.37 1 5 0 55 370.493 7 ↓

Analogs

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Popular Name: (Z)-1-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-methyl-pent-2-en-1-one (Z)-1-[4-(5-methoxy-1H-indol-3-y…

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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) 3.78 9.26 -12.7 1 4 0 45 324.424 4 ↓

Analogs

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Popular Name: (2S)-3-[ethyl-[2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxo-ethyl]amino]-2-methyl-propane (2S)-3-[ethyl-[2-[4-(1H-indol-3-…

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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) 2.74 9.48 -13.8 1 5 0 63 350.466 6 ↓
Mid Mid (pH 6-8) 2.74 10.99 -51.06 2 5 1 64 351.474 6 ↓

Analogs

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Popular Name: [(1S)-1-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]pentyl]urea [(1S)-1-[4-(5-methoxy-1H-indol-3…

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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) 2.83 6.28 -21.06 4 7 0 100 384.48 7 ↓

Analogs

43936834
43936834
43936836
43936836

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Popular Name: tert-butyl tert-butyl

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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 9.13 -9.44 2 6 0 74 383.492 5 ↓

Analogs

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Popular Name: N-(2-cyanoethyl)-2-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide N-(2-cyanoethyl)-2-[4-(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) 1.58 7.33 -57.04 3 6 1 82 339.419 6 ↓
Hi High (pH 8-9.5) 1.58 5.13 -23.73 2 6 0 81 338.411 6 ↓

Analogs

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Popular Name: (2S)-N-carbamoyl-2-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide (2S)-N-carbamoyl-2-[4-(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) 1.23 5.17 -52.65 5 7 1 102 343.407 4 ↓
Hi High (pH 8-9.5) 1.23 2.92 -27.45 4 7 0 100 342.399 4 ↓

Analogs

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Popular Name: (2R)-N-carbamoyl-2-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide (2R)-N-carbamoyl-2-[4-(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) 1.23 5.2 -54.21 5 7 1 102 343.407 4 ↓
Hi High (pH 8-9.5) 1.23 2.81 -25.08 4 7 0 100 342.399 4 ↓

Analogs

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Popular Name: 2-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide 2-[4-(5-methoxy-1H-indol-3-yl)-3…

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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) 1.25 4.5 -45.14 4 5 1 73 286.355 4 ↓
Hi High (pH 8-9.5) 1.25 2.3 -16.61 3 5 0 71 285.347 4 ↓

Analogs

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Popular Name: 2-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-(methylcarbamoyl)acetamide 2-[4-(5-methoxy-1H-indol-3-yl)-3…

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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 6.08 -59.22 4 7 1 88 343.407 4 ↓
Hi High (pH 8-9.5) 1.77 3.91 -28 3 7 0 86 342.399 4 ↓

Analogs

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Popular Name: 6-nitro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole 6-nitro-3-(1,2,3,6-tetrahydropyr…

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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) 1.82 6.79 -50.98 3 5 1 78 244.274 2 ↓

Analogs

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Popular Name: N,N-dimethyl-4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-sulfonamide N,N-dimethyl-4-(2-methyl-1H-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) 2.08 5.83 -10.45 1 5 0 56 319.43 3 ↓

Analogs

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Popular Name: N-butyl-N-methyl-4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-sulfonamide N-butyl-N-methyl-4-(2-methyl-1H-…

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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) 3.52 8.28 -11.1 1 5 0 56 361.511 6 ↓

Analogs

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Popular Name: 3-(1-ethylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-methyl-1H-indole 3-(1-ethylsulfonyl-3,6-dihydro-2…

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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 6.33 -11.96 1 4 0 53 304.415 3 ↓

Analogs

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Popular Name: 1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone 1-[4-(1H-indol-3-yl)-3,6-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) 1.84 7.34 -11.51 1 3 0 36 240.306 1 ↓

Analogs

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Popular Name: methyl 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) 4.88 7.56 -9.99 2 6 0 74 369.465 6 ↓

Parameters Provided:

ring.id = 24741
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 = 24741 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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