UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-[[[(1R)-indan-1-yl]-prop-2-ynyl-amino]methyl]-1-piperidyl]ethanone 1-[4-[[[(1R)-indan-1-yl]-prop-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) 2.51 9.23 -9.86 0 3 0 24 310.441 4 ↓
Mid Mid (pH 6-8) 2.51 10.94 -41.4 1 3 1 25 311.449 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-[[[(1S)-indan-1-yl]-prop-2-ynyl-amino]methyl]-1-piperidyl]ethanone 1-[4-[[[(1S)-indan-1-yl]-prop-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) 2.51 9.1 -10.46 0 3 0 24 310.441 4 ↓
Mid Mid (pH 6-8) 2.51 10.62 -43.29 1 3 1 25 311.449 4 ↓

Analogs

44515669
44515669
44515671
44515671
44517514
44517514
44517515
44517515

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[(1R)-1-(1-propyl-4-piperidyl)ethyl]indan-1-amine (1R)-N-[(1R)-1-(1-propyl-4-piper…

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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) 3.95 11.19 -97.94 3 2 2 21 288.479 5 ↓

Analogs

44515669
44515669
44515671
44515671
44517514
44517514
44517515
44517515

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[(1S)-1-(1-propyl-4-piperidyl)ethyl]indan-1-amine (1R)-N-[(1S)-1-(1-propyl-4-piper…

Find On: PubMed — Wikipedia — Google

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) 3.95 10.99 -97.46 3 2 2 21 288.479 5 ↓

Analogs

44515669
44515669
44515671
44515671
44517514
44517514
44517515
44517515

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[(1R)-1-(1-propyl-4-piperidyl)ethyl]indan-1-amine (1S)-N-[(1R)-1-(1-propyl-4-piper…

Find On: PubMed — Wikipedia — Google

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) 3.95 11.08 -100.48 3 2 2 21 288.479 5 ↓

Analogs

44515669
44515669
44515671
44515671
44517514
44517514
44517515
44517515

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[(1S)-1-(1-propyl-4-piperidyl)ethyl]indan-1-amine (1S)-N-[(1S)-1-(1-propyl-4-piper…

Find On: PubMed — Wikipedia — Google

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) 3.95 11.2 -99.68 3 2 2 21 288.479 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[(1R)-1-(1-ethyl-4-piperidyl)ethyl]indan-1-amine (1R)-N-[(1R)-1-(1-ethyl-4-piperi…

Find On: PubMed — Wikipedia — Google

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) 3.45 10.44 -96.36 3 2 2 21 274.452 4 ↓

Analogs

44515669
44515669
44515671
44515671
44517514
44517514
44517515
44517515

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[(1S)-1-(1-ethyl-4-piperidyl)ethyl]indan-1-amine (1R)-N-[(1S)-1-(1-ethyl-4-piperi…

Find On: PubMed — Wikipedia — Google

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) 3.45 10.26 -95.96 3 2 2 21 274.452 4 ↓

Analogs

44515669
44515669
44515671
44515671
44517514
44517514
44517515
44517515

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[(1R)-1-(1-ethyl-4-piperidyl)ethyl]indan-1-amine (1S)-N-[(1R)-1-(1-ethyl-4-piperi…

Find On: PubMed — Wikipedia — Google

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) 3.45 10.34 -98.96 3 2 2 21 274.452 4 ↓

Analogs

44511688
44511688
44511689
44511689
44515669
44515669
44515671
44515671
44517514
44517514

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[(1S)-1-(1-ethyl-4-piperidyl)ethyl]indan-1-amine (1S)-N-[(1S)-1-(1-ethyl-4-piperi…

Find On: PubMed — Wikipedia — Google

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) 3.45 10.53 -97.84 3 2 2 21 274.452 4 ↓

Analogs

44511688
44511688
44511689
44511689
44515669
44515669
44515671
44515671
44517514
44517514

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[(1S)-1-(1-methyl-4-piperidyl)ethyl]indan-1-amine (1R)-N-[(1S)-1-(1-methyl-4-piper…

Find On: PubMed — Wikipedia — Google

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) 3.08 9.69 -93.59 3 2 2 21 260.425 3 ↓

Analogs

44511688
44511688
44511689
44511689
44515669
44515669
44515671
44515671
44517514
44517514

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[(1R)-1-(1-methyl-4-piperidyl)ethyl]indan-1-amine (1R)-N-[(1R)-1-(1-methyl-4-piper…

Find On: PubMed — Wikipedia — Google

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) 3.08 9.8 -96.19 3 2 2 21 260.425 3 ↓

Analogs

44511688
44511688
44511689
44511689

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[(1S)-1-(1-methyl-4-piperidyl)ethyl]indan-1-amine (1S)-N-[(1S)-1-(1-methyl-4-piper…

Find On: PubMed — Wikipedia — Google

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) 3.08 9.8 -97.81 3 2 2 21 260.425 3 ↓

Analogs

44511688
44511688
44511689
44511689

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[(1R)-1-(1-methyl-4-piperidyl)ethyl]indan-1-amine (1S)-N-[(1R)-1-(1-methyl-4-piper…

Find On: PubMed — Wikipedia — Google

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) 3.08 9.68 -98.7 3 2 2 21 260.425 3 ↓

Parameters Provided:

ring.id = 185659
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 = 185659 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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