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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)-2-[[4-[(1R)-3-(2,4-diaminopyrrolo[3,2-d]pyrimidin-5-yl)-1-methyl-propyl]benzoyl]amino]pentanedi (2S)-2-[[4-[(1R)-3-(2,4-diaminop…

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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) -0.34 10.44 -124.46 6 11 -1 193 453.479 10 ↓
Lo Low (pH 4.5-6) -0.34 8.45 -78.83 7 11 0 191 454.487 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[4-[(1S)-3-(2,4-diaminopyrrolo[3,2-d]pyrimidin-5-yl)-1-methyl-propyl]benzoyl]amino]pentanedi (2R)-2-[[4-[(1S)-3-(2,4-diaminop…

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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) -0.34 10.53 -124.22 6 11 -1 193 453.479 10 ↓
Mid Mid (pH 6-8) -0.34 10.07 -124.14 5 11 -2 192 452.471 10 ↓
Lo Low (pH 4.5-6) -0.34 8.55 -77.67 7 11 0 191 454.487 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[4-[(1R)-3-(2,4-diaminopyrrolo[3,2-d]pyrimidin-5-yl)-1-methyl-propyl]benzoyl]amino]pentanedi (2R)-2-[[4-[(1R)-3-(2,4-diaminop…

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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) -0.34 10.49 -123.95 6 11 -1 193 453.479 10 ↓
Mid Mid (pH 6-8) -0.34 10.03 -125.74 5 11 -2 192 452.471 10 ↓
Lo Low (pH 4.5-6) -0.34 8.52 -76.42 7 11 0 191 454.487 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[4-[3-(2,4-diaminopyrrolo[3,2-d]pyrimidin-5-yl)propyl]benzoyl]amino]pentanedioic (2R)-2-[[4-[3-(2,4-diaminopyrrol…

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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) -0.89 10.12 -124.95 6 11 -1 193 439.452 10 ↓
Mid Mid (pH 6-8) -0.89 9.72 -125.93 5 11 -2 192 438.444 10 ↓
Lo Low (pH 4.5-6) -0.89 8.14 -78.9 7 11 0 191 440.46 10 ↓

Parameters Provided:

ring.id = 590047
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 = 590047 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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