UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-(2-ethyl-1-piperidyl)-1-(5-methyl-1H-indol-3-yl)-ethanone 2-(2-ethyl-1-piperidyl)-1-(5-met…

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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 1.63 -40.15 2 3 1 37 285.411 4 ↓

Analogs

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Popular Name: 2-(2-ethyl-1-piperidyl)-1-(5-methyl-1H-indol-3-yl)-ethanone 2-(2-ethyl-1-piperidyl)-1-(5-met…

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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 1.14 -42.5 2 3 1 37 285.411 4 ↓

Analogs

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Popular Name: 2-(2-ethyl-1-piperidyl)-1-(1H-indol-3-yl)propan-1-one 2-(2-ethyl-1-piperidyl)-1-(1H-in…

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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) 3.74 1.1 -38.66 2 3 1 37 285.411 4 ↓

Analogs

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Popular Name: 2-(2-ethyl-1-piperidyl)-1-(1H-indol-3-yl)propan-1-one 2-(2-ethyl-1-piperidyl)-1-(1H-in…

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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) 3.74 1.13 -37.86 2 3 1 37 285.411 4 ↓

Analogs

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Popular Name: 2-(3,5-dimethyl-1-piperidyl)-1-(5-methyl-1H-indol-3-yl)-ethanone 2-(3,5-dimethyl-1-piperidyl)-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) 3.69 1.54 -43.23 2 3 1 37 285.411 3 ↓

Analogs

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Popular Name: 2-(3,5-dimethyl-1-piperidyl)-1-(5-methyl-1H-indol-3-yl)-ethanone 2-(3,5-dimethyl-1-piperidyl)-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) 3.69 1.72 -42.72 2 3 1 37 285.411 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3,5-dimethyl-1-piperidyl)-1-(5-methyl-1H-indol-3-yl)-ethanone 2-(3,5-dimethyl-1-piperidyl)-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) 3.69 1.72 -43.19 2 3 1 37 285.411 3 ↓

Analogs

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Popular Name: 1-(2,6-dimethyl-1H-indol-3-yl)-2-(2-methyl-1-piperidyl)-propan-1-one 1-(2,6-dimethyl-1H-indol-3-yl)-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) 3.85 1.36 -32.36 2 3 1 37 299.438 3 ↓

Analogs

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Popular Name: 1-(2,6-dimethyl-1H-indol-3-yl)-2-(2-methyl-1-piperidyl)-propan-1-one 1-(2,6-dimethyl-1H-indol-3-yl)-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) 3.85 1.51 -30.29 2 3 1 37 299.438 3 ↓

Analogs

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Popular Name: 1-[(1R)-1-methyl-2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl]piperidine-4-carboxamide 1-[(1R)-1-methyl-2-(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) 1.70 4.31 -20.07 3 5 0 79 313.401 4 ↓

Analogs

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Popular Name: 1-[(1S)-1-methyl-2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl]piperidine-4-carboxamide 1-[(1S)-1-methyl-2-(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) 1.70 4.05 -17.33 3 5 0 79 313.401 4 ↓

Analogs

542777
542777

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Popular Name: 1-(5-methoxy-1H-indol-3-yl)-2-(2-methyl-1-piperidyl)-ethanone 1-(5-methoxy-1H-indol-3-yl)-2-(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) 2.91 8.22 -44.19 2 4 1 47 287.383 4 ↓
Hi High (pH 8-9.5) 2.91 6.19 -18.07 1 4 0 45 286.375 4 ↓

Analogs

542776
542776

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Popular Name: 1-(5-methoxy-1H-indol-3-yl)-2-(2-methyl-1-piperidyl)-ethanone 1-(5-methoxy-1H-indol-3-yl)-2-(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) 2.91 8.22 -44.19 2 4 1 47 287.383 4 ↓
Hi High (pH 8-9.5) 2.91 6.19 -18.11 1 4 0 45 286.375 4 ↓

Analogs

4871832
4871832

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Popular Name: 1-(2-methyl-1H-indol-3-yl)-2-(4-methyl-1-piperidyl)-ethanone 1-(2-methyl-1H-indol-3-yl)-2-(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) 3.01 9.7 -37.54 2 3 1 37 271.384 3 ↓
Hi High (pH 8-9.5) 3.01 7.52 -9.24 1 3 0 36 270.376 3 ↓

Analogs

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Popular Name: 2-(4-hydroxy-1-piperidyl)-1-(2-methyl-1H-indol-3-yl)ethanone 2-(4-hydroxy-1-piperidyl)-1-(2-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) 0.89 3.58 -11.69 2 4 0 56 272.348 3 ↓
Mid Mid (pH 6-8) 0.89 5.73 -41.3 3 4 1 58 273.356 3 ↓

Analogs

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Popular Name: 1-(4-methyl-1H-indol-3-yl)-2-(1-piperidyl)ethanone 1-(4-methyl-1H-indol-3-yl)-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) 2.95 8.93 -36.8 2 3 1 37 257.357 3 ↓
Mid Mid (pH 6-8) 2.95 6.75 -8.65 1 3 0 36 256.349 3 ↓

Analogs

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Popular Name: 1-(1H-indol-3-yl)-2-[4-(methoxymethyl)-1-piperidyl]ethanone 1-(1H-indol-3-yl)-2-[4-(methoxym…

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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) 2.40 8.14 -45.97 2 4 1 47 287.383 5 ↓
Mid Mid (pH 6-8) 2.40 5.96 -14.1 1 4 0 45 286.375 5 ↓

Analogs

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Popular Name: (2R)-1-(2-methyl-1H-indol-3-yl)-2-(1-piperidyl)propan-1-one (2R)-1-(2-methyl-1H-indol-3-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) 3.10 9.54 -34.93 2 3 1 37 271.384 3 ↓
Hi High (pH 8-9.5) 3.10 7.66 -11.89 1 3 0 36 270.376 3 ↓

Analogs

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Popular Name: (2S)-1-(2-methyl-1H-indol-3-yl)-2-(1-piperidyl)propan-1-one (2S)-1-(2-methyl-1H-indol-3-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) 3.10 9.51 -34.89 2 3 1 37 271.384 3 ↓
Hi High (pH 8-9.5) 3.10 7.4 -9.08 1 3 0 36 270.376 3 ↓

Analogs

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Popular Name: 2-[(3S)-3-hydroxy-1-piperidyl]-1-(2-methyl-1H-indol-3-yl)ethanone 2-[(3S)-3-hydroxy-1-piperidyl]-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) 1.62 5.72 -37.52 3 4 1 58 273.356 3 ↓
Hi High (pH 8-9.5) 1.62 3.56 -10.07 2 4 0 56 272.348 3 ↓

Analogs

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Popular Name: 2-[(3R)-3-hydroxy-1-piperidyl]-1-(2-methyl-1H-indol-3-yl)ethanone 2-[(3R)-3-hydroxy-1-piperidyl]-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) 1.62 5.72 -37.84 3 4 1 58 273.356 3 ↓
Hi High (pH 8-9.5) 1.62 3.56 -10.17 2 4 0 56 272.348 3 ↓

Parameters Provided:

ring.id = 1570
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 = 1570 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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