UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-amino-6-[cyclopropyl(2-hydroxyethyl)amino]indolin-2-one 5-amino-6-[cyclopropyl(2-hydroxy…

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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) 0.33 1.67 -7.03 4 5 0 79 247.298 4 ↓

Analogs

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Popular Name: (3R)-3-amino-6-[cyclopropyl(2-hydroxyethyl)amino]indolin-2-one (3R)-3-amino-6-[cyclopropyl(2-hy…

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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) -1.77 -0.14 -45.27 5 5 1 80 248.306 4 ↓
Mid Mid (pH 6-8) -1.77 -0.46 -6.39 4 5 0 79 247.298 4 ↓

Analogs

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Popular Name: (3R)-6-[cyclopropyl(2-hydroxyethyl)amino]-3-(methylamino)indolin-2-one (3R)-6-[cyclopropyl(2-hydroxyeth…

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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) 0.48 1.69 -39.71 4 5 1 69 262.333 5 ↓
Hi High (pH 8-9.5) 0.48 0.35 -7.88 3 5 0 65 261.325 5 ↓

Analogs

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Popular Name: (3R)-6-[cyclopropyl(2-hydroxyethyl)amino]-3-(ethylamino)indolin-2-one (3R)-6-[cyclopropyl(2-hydroxyeth…

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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) 0.86 2.52 -37.97 4 5 1 69 276.36 6 ↓
Hi High (pH 8-9.5) 0.86 1.27 -7.8 3 5 0 65 275.352 6 ↓
Mid Mid (pH 6-8) 0.86 1.27 -6.2 3 5 0 65 275.352 6 ↓

Analogs

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Popular Name: (3R)-6-[cyclopropyl(2-hydroxyethyl)amino]-3-(propylamino)indolin-2-one (3R)-6-[cyclopropyl(2-hydroxyeth…

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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) 1.36 3.28 -38.72 4 5 1 69 290.387 7 ↓
Hi High (pH 8-9.5) 1.36 2.03 -7.72 3 5 0 65 289.379 7 ↓
Mid Mid (pH 6-8) 1.36 2.03 -6.09 3 5 0 65 289.379 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-6-[cyclopropyl(2-hydroxyethyl)amino]-3-hydroxy-indolin-2-one (3R)-6-[cyclopropyl(2-hydroxyeth…

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) -0.07 -0.73 -8.02 3 5 0 73 248.282 4 ↓

Parameters Provided:

ring.id = 620897
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 = 620897 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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