UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: [(3S)-1-[(1-ethylindol-3-yl)methyl]pyrrolidin-3-yl]methanamine [(3S)-1-[(1-ethylindol-3-yl)meth…

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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) 1.64 5.87 -47.51 3 3 1 36 258.389 4 ↓
Mid Mid (pH 6-8) 1.64 7.95 -35.59 3 3 1 35 258.389 4 ↓

Analogs

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Popular Name: [(3R)-1-[(5-bromo-1H-indol-3-yl)methyl]pyrrolidin-3-yl]methanamine [(3R)-1-[(5-bromo-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) 1.98 3.49 -46.5 4 3 1 47 309.231 3 ↓
Mid Mid (pH 6-8) 1.98 5.6 -37.49 4 3 1 46 309.231 3 ↓

Analogs

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Popular Name: [(3S)-1-[(5-bromo-1H-indol-3-yl)methyl]pyrrolidin-3-yl]methanamine [(3S)-1-[(5-bromo-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) 1.98 3.58 -46.35 4 3 1 47 309.231 3 ↓
Mid Mid (pH 6-8) 1.98 5.89 -37.14 4 3 1 46 309.231 3 ↓

Analogs

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Popular Name: [(3R)-1-[(1-methylindol-3-yl)methyl]pyrrolidin-3-yl]methanamine [(3R)-1-[(1-methylindol-3-yl)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) 1.27 4.94 -46.52 3 3 1 36 244.362 3 ↓
Mid Mid (pH 6-8) 1.27 7.03 -35.77 3 3 1 35 244.362 3 ↓

Analogs

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Popular Name: [(3S)-1-[(1-methylindol-3-yl)methyl]pyrrolidin-3-yl]methanamine [(3S)-1-[(1-methylindol-3-yl)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) 1.27 4.96 -47.81 3 3 1 36 244.362 3 ↓
Mid Mid (pH 6-8) 1.27 7.04 -36.23 3 3 1 35 244.362 3 ↓

Analogs

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Popular Name: (2S)-2-(6-bromo-1H-indol-3-yl)-2-pyrrolidin-1-yl-acetic (2S)-2-(6-bromo-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) 2.51 7.8 -39.27 2 4 0 60 323.19 3 ↓

Analogs

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Popular Name: (2R)-2-(6-bromo-1H-indol-3-yl)-2-pyrrolidin-1-yl-acetic (2R)-2-(6-bromo-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) 2.51 7.94 -40.31 2 4 0 60 323.19 3 ↓

Analogs

23373241
23373241

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Popular Name: [(2S,4R)-4-(dimethylamino)-1-[(5-methyl-1H-indol-3-yl)methyl]pyrrolidin-2-yl]methanol [(2S,4R)-4-(dimethylamino)-1-[(5…

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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) 1.82 4.52 -34.5 3 4 1 44 288.415 4 ↓
Hi High (pH 8-9.5) 1.82 2.08 -7.36 2 4 0 42 287.407 4 ↓
Mid Mid (pH 6-8) 1.82 4.28 -39.66 3 4 1 44 288.415 4 ↓

Analogs

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Popular Name: (2S,4S)-4-amino-1-[[1-(2-amino-2-oxo-ethyl)indol-3-yl]methyl]-N-isopropyl-pyrrolidine-2-carboxamide (2S,4S)-4-amino-1-[[1-(2-amino-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) -0.55 1.81 -64.19 6 7 1 108 358.466 6 ↓
Hi High (pH 8-9.5) -0.55 1.06 -17.77 5 7 0 106 357.458 6 ↓

Parameters Provided:

ring.id = 10182
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 = 10182 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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