UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-amino-6-cyclopentylsulfanyl-indolin-2-one 5-amino-6-cyclopentylsulfanyl-in…

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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) 2.33 4.55 -6.63 3 3 0 55 248.351 2 ↓

Analogs

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Popular Name: (3R)-3-amino-6-cyclopentylsulfanyl-indolin-2-one (3R)-3-amino-6-cyclopentylsulfan…

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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) 0.23 3.48 -6.82 3 3 0 55 248.351 2 ↓
Mid Mid (pH 6-8) 0.23 3.8 -47.92 4 3 1 57 249.359 2 ↓

Analogs

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Popular Name: (3R)-6-cyclopentylsulfanyl-3-(methylamino)indolin-2-one (3R)-6-cyclopentylsulfanyl-3-(me…

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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) 2.48 4.28 -5.1 2 3 0 41 262.378 3 ↓
Mid Mid (pH 6-8) 2.48 5.63 -42.04 3 3 1 46 263.386 3 ↓

Analogs

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Popular Name: (3R)-6-cyclopentylsulfanyl-3-(ethylamino)indolin-2-one (3R)-6-cyclopentylsulfanyl-3-(et…

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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) 2.86 6.46 -40.14 3 3 1 46 277.413 4 ↓
Mid Mid (pH 6-8) 2.86 5.21 -4.93 2 3 0 41 276.405 4 ↓

Analogs

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Popular Name: (3R)-6-cyclopentylsulfanyl-3-(propylamino)indolin-2-one (3R)-6-cyclopentylsulfanyl-3-(pr…

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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) 3.36 7.22 -40.9 3 3 1 46 291.44 5 ↓
Mid Mid (pH 6-8) 3.36 5.98 -4.82 2 3 0 41 290.432 5 ↓

Parameters Provided:

ring.id = 284264
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 = 284264 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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