UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

40847464
40847464

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Popular Name: 2-methyl-1-[2-[(2S)-2-piperidyl]ethyl]indole 2-methyl-1-[2-[(2S)-2-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) 3.40 9.45 -46.73 2 2 1 22 243.374 3 ↓

Analogs

40847464
40847464

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Popular Name: 2-methyl-1-[2-[(2R)-2-piperidyl]ethyl]indole 2-methyl-1-[2-[(2R)-2-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) 3.40 9.44 -45.62 2 2 1 22 243.374 3 ↓

Analogs

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Popular Name: 1-[2-[(2S)-2-piperidyl]ethyl]indole 1-[2-[(2S)-2-piperidyl]ethyl]indole

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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) 3.18 8.96 -45.29 2 2 1 22 229.347 3 ↓

Analogs

2024755
2024755

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Popular Name: 1-[2-[(2R)-2-piperidyl]ethyl]indole 1-[2-[(2R)-2-piperidyl]ethyl]indole

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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) 3.18 8.96 -46 2 2 1 22 229.347 3 ↓

Analogs

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Popular Name: 7-ethyl-1-[2-[(2S)-2-piperidyl]ethyl]indole 7-ethyl-1-[2-[(2S)-2-piperidyl]e…

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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) 4.05 10 -45.3 2 2 1 22 257.401 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-ethyl-1-[2-[(2R)-2-piperidyl]ethyl]indole 7-ethyl-1-[2-[(2R)-2-piperidyl]e…

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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) 4.05 9.87 -47.22 2 2 1 22 257.401 4 ↓

Analogs

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Popular Name: 5-methoxy-1-[2-[(2S)-2-piperidyl]ethyl]indole 5-methoxy-1-[2-[(2S)-2-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) 3.21 8.25 -49.54 2 3 1 31 259.373 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methoxy-1-[2-[(2R)-2-piperidyl]ethyl]indole 5-methoxy-1-[2-[(2R)-2-piperidyl…

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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) 3.21 8.25 -49.62 2 3 1 31 259.373 4 ↓

Analogs

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Popular Name: 6-fluoro-1-[2-[(2S)-2-piperidyl]ethyl]indole 6-fluoro-1-[2-[(2S)-2-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) 3.32 9.03 -44.45 2 2 1 22 247.337 3 ↓

Analogs

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Popular Name: 6-fluoro-1-[2-[(2R)-2-piperidyl]ethyl]indole 6-fluoro-1-[2-[(2R)-2-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) 3.32 9.03 -46.83 2 2 1 22 247.337 3 ↓

Analogs

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Popular Name: 4-methyl-1-[2-[(2S)-2-piperidyl]ethyl]indole 4-methyl-1-[2-[(2S)-2-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) 3.58 9.6 -44.87 2 2 1 22 243.374 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-1-[2-[(2R)-2-piperidyl]ethyl]indole 4-methyl-1-[2-[(2R)-2-piperidyl]…

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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) 3.58 9.6 -45.67 2 2 1 22 243.374 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-methyl-1-[2-[(2S)-2-piperidyl]ethyl]indole 6-methyl-1-[2-[(2S)-2-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) 3.60 9.63 -45.38 2 2 1 22 243.374 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-methyl-1-[2-[(2R)-2-piperidyl]ethyl]indole 6-methyl-1-[2-[(2R)-2-piperidyl]…

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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) 3.60 9.63 -46 2 2 1 22 243.374 3 ↓

Analogs

4335237
4335237
4335238
4335238

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Popular Name: 3-methyl-1-[2-[(2S)-2-piperidyl]ethyl]indole 3-methyl-1-[2-[(2S)-2-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) 3.56 9.64 -45.13 2 2 1 22 243.374 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-1-[2-[(2R)-2-piperidyl]ethyl]indole 3-methyl-1-[2-[(2R)-2-piperidyl]…

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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) 3.56 9.64 -45.72 2 2 1 22 243.374 3 ↓

Parameters Provided:

ring.id = 566584
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 = 566584 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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