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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: (2R)-2-cyclopropyl-2-(cyclopropylamino)-3-isoindolin-2-yl-propanenitrile (2R)-2-cyclopropyl-2-(cyclopropy…

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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) 2.19 8.68 -41.89 2 3 1 40 268.384 5 ↓
Mid Mid (pH 6-8) 2.19 6.44 -4.31 1 3 0 39 267.376 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-cyclopropyl-2-(cyclopropylamino)-3-isoindolin-2-yl-propanenitrile (2S)-2-cyclopropyl-2-(cyclopropy…

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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) 2.19 8.4 -38.2 2 3 1 40 268.384 5 ↓
Mid Mid (pH 6-8) 2.19 6.02 -7.37 1 3 0 39 267.376 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-cyclopropyl-2-(cyclopropylamino)-3-isoindolin-2-yl-propanamide (2S)-2-cyclopropyl-2-(cyclopropy…

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) 1.14 5.63 -36.67 4 4 1 60 286.399 6 ↓
Hi High (pH 8-9.5) 1.14 3.13 -6.17 3 4 0 58 285.391 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-cyclopropyl-2-(cyclopropylamino)-3-isoindolin-2-yl-propanamide (2R)-2-cyclopropyl-2-(cyclopropy…

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) 1.14 5.72 -40.79 4 4 1 60 286.399 6 ↓
Hi High (pH 8-9.5) 1.14 3.99 -5.62 3 4 0 58 285.391 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-cyclopropyl-2-(cyclopropylamino)-3-isoindolin-2-yl-propanoic (2S)-2-cyclopropyl-2-(cyclopropy…

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) -0.33 9.54 -75.88 3 4 1 61 287.383 6 ↓
Hi High (pH 8-9.5) -0.33 9.02 -46.11 2 4 0 57 286.375 6 ↓
Mid Mid (pH 6-8) -0.33 7.4 -34.25 2 4 0 60 286.375 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-cyclopropyl-2-(cyclopropylamino)-3-isoindolin-2-yl-propanoic (2R)-2-cyclopropyl-2-(cyclopropy…

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) -0.33 9.56 -68.67 3 4 1 61 287.383 6 ↓
Hi High (pH 8-9.5) -0.33 8.57 -38.47 2 4 0 57 286.375 6 ↓
Mid Mid (pH 6-8) -0.33 8.55 -28.27 2 4 0 60 286.375 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-cyclopropyl-2-(cyclopropylamino)-3-isoindolin-2-yl-propan-1-ol (2R)-2-cyclopropyl-2-(cyclopropy…

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) 1.77 7.21 -105.92 4 3 2 41 274.408 6 ↓
Hi High (pH 8-9.5) 1.77 6.13 -31.04 3 3 1 37 273.4 6 ↓
Mid Mid (pH 6-8) 1.77 5.52 -30.74 3 3 1 40 273.4 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-cyclopropyl-2-(cyclopropylamino)-3-isoindolin-2-yl-propan-1-ol (2S)-2-cyclopropyl-2-(cyclopropy…

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) 1.77 6.51 -107.34 4 3 2 41 274.408 6 ↓
Hi High (pH 8-9.5) 1.77 6.06 -34.48 3 3 1 37 273.4 6 ↓
Mid Mid (pH 6-8) 1.77 6 -31.65 3 3 1 40 273.4 6 ↓

Parameters Provided:

ring.id = 270909
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 = 270909 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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