UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (3S)-3-amino-1-[(5-bromo-2-thienyl)methyl]-4,6-difluoro-indolin-2-one (3S)-3-amino-1-[(5-bromo-2-thien…

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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) 1.12 5.76 -6.92 2 3 0 46 359.195 2 ↓
Lo Low (pH 4.5-6) 1.13 6.06 -43.88 3 3 1 48 360.203 2 ↓

Analogs

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Popular Name: (3S)-3-amino-4,6-difluoro-1-(2-thienylmethyl)indolin-2-one (3S)-3-amino-4,6-difluoro-1-(2-t…

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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) 0.19 5.03 -6.66 2 3 0 46 280.299 2 ↓
Lo Low (pH 4.5-6) 0.19 5.33 -42.42 3 3 1 48 281.307 2 ↓

Analogs

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Popular Name: (3S)-3-amino-4,6-difluoro-1-[(3-methyl-2-thienyl)methyl]indolin-2-one (3S)-3-amino-4,6-difluoro-1-[(3-…

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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) 0.57 5.59 -4.54 2 3 0 46 294.326 2 ↓
Lo Low (pH 4.5-6) 0.57 5.89 -42.59 3 3 1 48 295.334 2 ↓

Analogs

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Popular Name: (3R)-3-amino-1-[(4-bromo-2-thienyl)methyl]-4,6-difluoro-indolin-2-one (3R)-3-amino-1-[(4-bromo-2-thien…

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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) 0.93 5.64 -6.09 2 3 0 46 359.195 2 ↓
Lo Low (pH 4.5-6) 0.93 5.94 -43.21 3 3 1 48 360.203 2 ↓

Analogs

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Popular Name: (3S)-3-amino-4,6-difluoro-1-[(5-methyl-2-thienyl)methyl]indolin-2-one (3S)-3-amino-4,6-difluoro-1-[(5-…

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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) 0.41 5.86 -6.86 2 3 0 46 294.326 2 ↓
Lo Low (pH 4.5-6) 0.41 6.16 -42.38 3 3 1 48 295.334 2 ↓

Analogs

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Popular Name: (3S)-3-amino-1-[(5-chloro-2-thienyl)methyl]-4,6-difluoro-indolin-2-one (3S)-3-amino-1-[(5-chloro-2-thie…

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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) 0.99 5.65 -6.88 2 3 0 46 314.744 2 ↓
Lo Low (pH 4.5-6) 0.99 5.96 -43.84 3 3 1 48 315.752 2 ↓

Parameters Provided:

ring.id = 610260
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 = 610260 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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