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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: methyl methyl

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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) 0.81 6.02 -14.61 2 7 0 93 307.379 8 ↓
Hi High (pH 8-9.5) 0.81 5.99 -40.03 1 7 -1 91 306.371 8 ↓
Mid Mid (pH 6-8) 0.81 6.98 -56.72 2 7 0 96 307.379 8 ↓

Analogs

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Popular Name: methyl methyl

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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) 0.81 5.9 -15.67 2 7 0 93 307.379 8 ↓
Hi High (pH 8-9.5) 0.81 6.05 -39.72 1 7 -1 91 306.371 8 ↓
Mid Mid (pH 6-8) 0.81 6.9 -57.4 2 7 0 96 307.379 8 ↓

Analogs

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Popular Name: (2S)-2-(cyclopropylamino)-4-(9H-purin-6-ylsulfanyl)butanoic (2S)-2-(cyclopropylamino)-4-(9H-…

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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) -1.26 7.4 -41.47 3 7 0 111 293.352 7 ↓
Mid Mid (pH 6-8) -1.26 6.96 -62.79 2 7 -1 110 292.344 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(cyclopropylamino)-4-(9H-purin-6-ylsulfanyl)butanoic (2R)-2-(cyclopropylamino)-4-(9H-…

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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) -1.26 7.37 -42 3 7 0 111 293.352 7 ↓
Mid Mid (pH 6-8) -1.26 6.93 -63.22 2 7 -1 110 292.344 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(cyclopropylamino)-4-(9H-purin-6-ylsulfanyl)butanamide (2S)-2-(cyclopropylamino)-4-(9H-…

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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 3.51 -50.83 5 7 1 114 293.376 7 ↓
Hi High (pH 8-9.5) 0.24 2.11 -41.96 3 7 -1 108 291.36 7 ↓
Mid Mid (pH 6-8) 0.24 3.06 -57.69 4 7 0 112 292.368 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(cyclopropylamino)-4-(9H-purin-6-ylsulfanyl)butanamide (2R)-2-(cyclopropylamino)-4-(9H-…

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) 0.24 3.51 -50.81 5 7 1 114 293.376 7 ↓
Hi High (pH 8-9.5) 0.24 2.02 -42.53 3 7 -1 108 291.36 7 ↓
Mid Mid (pH 6-8) 0.24 3.06 -57.7 4 7 0 112 292.368 7 ↓

Parameters Provided:

ring.id = 146419
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 = 146419 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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