UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: [(3S)-1-indan-5-ylpyrrolidin-3-yl]methanamine [(3S)-1-indan-5-ylpyrrolidin-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) 1.77 4.84 -47.98 3 2 1 31 217.336 2 ↓

Analogs

37877677
37877677
37877678
37877678

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Popular Name: [(3R)-1-indan-5-ylpyrrolidin-3-yl]methanamine [(3R)-1-indan-5-ylpyrrolidin-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) 1.77 4.85 -47.99 3 2 1 31 217.336 2 ↓

Analogs

45650254
45650254
45650256
45650256

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Popular Name: (3R)-1-indan-5-yl-N-propyl-pyrrolidin-3-amine (3R)-1-indan-5-yl-N-propyl-pyrro…

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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) 3.24 8.74 -42.19 2 2 1 20 245.39 4 ↓

Analogs

45650254
45650254
45650256
45650256

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-indan-5-yl-N-propyl-pyrrolidin-3-amine (3S)-1-indan-5-yl-N-propyl-pyrro…

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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) 3.24 8.76 -41.94 2 2 1 20 245.39 4 ↓

Analogs

45650254
45650254
45650256
45650256

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Popular Name: (3R)-N-ethyl-1-indan-5-yl-pyrrolidin-3-amine (3R)-N-ethyl-1-indan-5-yl-pyrrol…

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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 7.98 -41.3 2 2 1 20 231.363 3 ↓

Analogs

45650254
45650254
45650256
45650256

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-ethyl-1-indan-5-yl-pyrrolidin-3-amine (3S)-N-ethyl-1-indan-5-yl-pyrrol…

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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 7.99 -41.04 2 2 1 20 231.363 3 ↓

Analogs

45650254
45650254
45650256
45650256

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-indan-5-yl-N-methyl-pyrrolidin-3-amine (3R)-1-indan-5-yl-N-methyl-pyrro…

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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) 2.36 7.15 -42.62 2 2 1 20 217.336 2 ↓

Analogs

45650254
45650254
45650256
45650256

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-indan-5-yl-N-methyl-pyrrolidin-3-amine (3S)-1-indan-5-yl-N-methyl-pyrro…

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) 2.36 7.16 -42.25 2 2 1 20 217.336 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-indan-5-ylpyrrolidin-3-amine (3S)-1-indan-5-ylpyrrolidin-3-amine

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) 1.45 5.36 -48.05 3 2 1 31 203.309 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-indan-5-ylpyrrolidin-3-amine (3R)-1-indan-5-ylpyrrolidin-3-amine

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) 1.45 5.38 -47.74 3 2 1 31 203.309 1 ↓

Parameters Provided:

ring.id = 48586
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 = 48586 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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