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

Analogs

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Popular Name: 5-amino-6-(o-tolylmethylsulfanyl)indolin-2-one 5-amino-6-(o-tolylmethylsulfanyl…

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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) 2.92 6.33 -7.89 3 3 0 55 284.384 3 ↓

Analogs

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Popular Name: (3R)-3-amino-6-(o-tolylmethylsulfanyl)indolin-2-one (3R)-3-amino-6-(o-tolylmethylsul…

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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) 0.82 5.28 -6.44 3 3 0 55 284.384 3 ↓
Mid Mid (pH 6-8) 0.82 5.6 -49.49 4 3 1 57 285.392 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(methylamino)-6-(o-tolylmethylsulfanyl)indolin-2-one (3R)-3-(methylamino)-6-(o-tolylm…

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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) 3.08 6.08 -6.48 2 3 0 41 298.411 4 ↓
Mid Mid (pH 6-8) 3.08 7.42 -43.65 3 3 1 46 299.419 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-6-(m-tolylmethylsulfanyl)indolin-2-one 5-amino-6-(m-tolylmethylsulfanyl…

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) 2.95 6.46 -7.9 3 3 0 55 284.384 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-amino-6-(m-tolylmethylsulfanyl)indolin-2-one (3R)-3-amino-6-(m-tolylmethylsul…

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) 0.85 5.41 -6.52 3 3 0 55 284.384 3 ↓
Mid Mid (pH 6-8) 0.85 5.73 -49.41 4 3 1 57 285.392 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(methylamino)-6-(m-tolylmethylsulfanyl)indolin-2-one (3R)-3-(methylamino)-6-(m-tolylm…

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) 3.10 6.21 -6.53 2 3 0 41 298.411 4 ↓
Mid Mid (pH 6-8) 3.10 7.55 -43.59 3 3 1 46 299.419 4 ↓

Parameters Provided:

ring.id = 375013
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 = 375013 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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