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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-4-amino-1-[(2-tert-butylpyrimidin-5-yl)methyl]-N-methyl-pyrrolidine-2-carboxamide (2S,4R)-4-amino-1-[(2-tert-butyl…

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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) -0.47 1.13 -60.43 4 6 1 86 292.407 4 ↓
Hi High (pH 8-9.5) -0.47 0.84 -12.17 3 6 0 84 291.399 4 ↓

Analogs

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Popular Name: (2S,4S)-4-amino-1-[(2-tert-butylpyrimidin-5-yl)methyl]-N-isopropyl-pyrrolidine-2-carboxamide (2S,4S)-4-amino-1-[(2-tert-butyl…

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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) 0.20 2.6 -59.54 4 6 1 86 320.461 5 ↓
Hi High (pH 8-9.5) 0.20 2.25 -10.47 3 6 0 84 319.453 5 ↓

Analogs

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Popular Name: (3R)-3-amino-1-[[2-(ethylamino)pyrimidin-5-yl]methyl]pyrrolidine-3-carboxylic (3R)-3-amino-1-[[2-(ethylamino)p…

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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) -2.53 2.18 -38.19 4 7 0 109 265.317 5 ↓
Lo Low (pH 4.5-6) -2.53 4.66 -85.28 5 7 1 110 266.325 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-amino-1-[[2-(ethylamino)pyrimidin-5-yl]methyl]pyrrolidine-3-carboxylic (3S)-3-amino-1-[[2-(ethylamino)p…

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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) -2.53 2.18 -48.51 4 7 0 109 265.317 5 ↓
Lo Low (pH 4.5-6) -2.53 4.68 -86.15 5 7 1 110 266.325 5 ↓

Analogs

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Popular Name: (2S,4S)-4-amino-1-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-N-isopropyl-pyrrolidine-2-carboxamide (2S,4S)-4-amino-1-[(2-ethylsulfa…

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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) 0.24 1.97 -62.11 4 6 1 86 324.474 6 ↓
Hi High (pH 8-9.5) 0.24 1.67 -12.82 3 6 0 84 323.466 6 ↓

Analogs

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Popular Name: 1-[[(3S)-1-[(2-aminopyrimidin-5-yl)methyl]pyrrolidin-3-yl]methyl]-3-isopropyl-urea 1-[[(3S)-1-[(2-aminopyrimidin-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) 0.04 4.19 -50.38 5 7 1 97 293.395 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(3R)-1-[(2-aminopyrimidin-5-yl)methyl]pyrrolidin-3-yl]methyl]-3-isopropyl-urea 1-[[(3R)-1-[(2-aminopyrimidin-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) 0.04 4.1 -50.71 5 7 1 97 293.395 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(3R)-1-[(2-ethylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methyl]-3-isopropyl-urea 1-[[(3R)-1-[(2-ethylpyrimidin-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) 0.90 5.44 -51.39 3 6 1 71 306.434 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(3S)-1-[(2-ethylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methyl]-3-isopropyl-urea 1-[[(3S)-1-[(2-ethylpyrimidin-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) 0.90 5.33 -51.52 3 6 1 71 306.434 6 ↓

Parameters Provided:

ring.id = 521001
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 = 521001 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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