UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-methyl-3-[(3S)-3-piperidyl]-1H-indole 2-methyl-3-[(3S)-3-piperidyl]-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) 2.12 6.37 -40.94 3 2 1 32 215.32 1 ↓

Analogs

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Popular Name: 2-methyl-3-[(3R)-3-piperidyl]-1H-indole 2-methyl-3-[(3R)-3-piperidyl]-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) 2.12 6.36 -41.17 3 2 1 32 215.32 1 ↓

Analogs

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Popular Name: 5-methyl-3-[(3S)-3-piperidyl]-1H-indole 5-methyl-3-[(3S)-3-piperidyl]-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) 2.32 6.71 -41.88 3 2 1 32 215.32 1 ↓

Analogs

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Popular Name: 5-methyl-3-[(3R)-3-piperidyl]-1H-indole 5-methyl-3-[(3R)-3-piperidyl]-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) 2.32 6.71 -41.83 3 2 1 32 215.32 1 ↓

Analogs

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Popular Name: 5-chloro-3-[(3S)-3-piperidyl]-1H-indole 5-chloro-3-[(3S)-3-piperidyl]-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) 2.55 6.54 -42.76 3 2 1 32 235.738 1 ↓

Analogs

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Popular Name: 5-chloro-3-[(3R)-3-piperidyl]-1H-indole 5-chloro-3-[(3R)-3-piperidyl]-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) 2.55 6.54 -42.76 3 2 1 32 235.738 1 ↓

Analogs

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Popular Name: 6-chloro-3-[(3S)-3-piperidyl]-1H-indole 6-chloro-3-[(3S)-3-piperidyl]-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) 2.55 6.53 -43.92 3 2 1 32 235.738 1 ↓

Analogs

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Popular Name: 6-chloro-3-[(3R)-3-piperidyl]-1H-indole 6-chloro-3-[(3R)-3-piperidyl]-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) 2.55 6.53 -43.92 3 2 1 32 235.738 1 ↓

Analogs

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Popular Name: 4,7-dichloro-3-[(3S)-3-piperidyl]-1H-indole 4,7-dichloro-3-[(3S)-3-piperidyl…

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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) 3.15 6.86 -41.2 3 2 1 32 270.183 1 ↓

Analogs

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Popular Name: 4-methyl-3-[(3S)-3-piperidyl]-1H-indole 4-methyl-3-[(3S)-3-piperidyl]-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) 2.29 6.47 -42.83 3 2 1 32 215.32 1 ↓

Analogs

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Popular Name: 4-methyl-3-[(3R)-3-piperidyl]-1H-indole 4-methyl-3-[(3R)-3-piperidyl]-1H…

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Activity (Go SEA)

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) 2.29 6.47 -43.16 3 2 1 32 215.32 1 ↓

Analogs

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Popular Name: 6-methyl-3-[(3S)-3-piperidyl]-1H-indole 6-methyl-3-[(3S)-3-piperidyl]-1H…

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Activity (Go SEA)

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) 2.32 6.69 -41.88 3 2 1 32 215.32 1 ↓

Analogs

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Popular Name: 6-methyl-3-[(3R)-3-piperidyl]-1H-indole 6-methyl-3-[(3R)-3-piperidyl]-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) 2.32 6.69 -41.91 3 2 1 32 215.32 1 ↓

Analogs

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Popular Name: 7-methyl-3-[(3S)-3-piperidyl]-1H-indole 7-methyl-3-[(3S)-3-piperidyl]-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) 2.29 6.68 -41.88 3 2 1 32 215.32 1 ↓

Analogs

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Popular Name: 7-methyl-3-[(3R)-3-piperidyl]-1H-indole 7-methyl-3-[(3R)-3-piperidyl]-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) 2.29 6.68 -41.82 3 2 1 32 215.32 1 ↓

Analogs

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Popular Name: 4,6-dimethoxy-3-[(3S)-3-piperidyl]-1H-indole 4,6-dimethoxy-3-[(3S)-3-piperidy…

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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) 1.91 4.7 -43.67 3 4 1 51 261.345 3 ↓

Analogs

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Popular Name: 4,6-dimethoxy-3-[(3R)-3-piperidyl]-1H-indole 4,6-dimethoxy-3-[(3R)-3-piperidy…

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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) 1.91 4.7 -43.66 3 4 1 51 261.345 3 ↓

Analogs

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Popular Name: 1-[(3R)-3-(5-methoxy-1H-indol-3-yl)-1-piperidyl]ethanone 1-[(3R)-3-(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) 1.88 6.55 -15.65 1 4 0 45 272.348 2 ↓

Analogs

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Popular Name: 1-[(3S)-3-(5-methoxy-1H-indol-3-yl)-1-piperidyl]ethanone 1-[(3S)-3-(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) 1.88 6.55 -15.62 1 4 0 45 272.348 2 ↓

Parameters Provided:

ring.id = 23373
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 = 23373 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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