UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-amino-6-[cyclobutylmethyl(methyl)amino]indolin-2-one 5-amino-6-[cyclobutylmethyl(meth…

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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) 1.64 5.15 -6.04 3 4 0 58 245.326 3 ↓
Lo Low (pH 4.5-6) 1.64 4.92 -50.98 4 4 1 60 246.334 3 ↓

Analogs

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Popular Name: (3R)-3-amino-6-[cyclobutylmethyl(methyl)amino]indolin-2-one (3R)-3-amino-6-[cyclobutylmethyl…

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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) -0.46 3.53 -43.61 4 4 1 60 246.334 3 ↓
Mid Mid (pH 6-8) -0.46 3.22 -6.71 3 4 0 58 245.326 3 ↓

Analogs

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Popular Name: (3R)-6-[cyclobutylmethyl(methyl)amino]-3-(methylamino)indolin-2-one (3R)-6-[cyclobutylmethyl(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) 1.79 5.19 -38.46 3 4 1 49 260.361 4 ↓
Mid Mid (pH 6-8) 1.79 3.84 -5.4 2 4 0 44 259.353 4 ↓

Analogs

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Popular Name: (3R)-6-[cyclobutylmethyl(methyl)amino]-3-(ethylamino)indolin-2-one (3R)-6-[cyclobutylmethyl(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) 2.17 6.02 -36.67 3 4 1 49 274.388 5 ↓
Mid Mid (pH 6-8) 2.17 4.77 -5.2 2 4 0 44 273.38 5 ↓

Analogs

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Popular Name: (3R)-6-[cyclobutylmethyl(methyl)amino]-3-(propylamino)indolin-2-one (3R)-6-[cyclobutylmethyl(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) 2.67 6.78 -37.38 3 4 1 49 288.415 6 ↓
Mid Mid (pH 6-8) 2.67 5.54 -5.11 2 4 0 44 287.407 6 ↓

Analogs

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Popular Name: (3R)-6-[cyclobutylmethyl(methyl)amino]-3-hydroxy-indolin-2-one (3R)-6-[cyclobutylmethyl(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) 1.24 2.94 -6.98 2 4 0 53 246.31 3 ↓
Lo Low (pH 4.5-6) 1.24 3.41 -23.28 3 4 0 54 247.318 3 ↓

Parameters Provided:

ring.id = 217328
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 = 217328 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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