UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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

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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) -0.45 4.04 -8.08 2 4 0 59 264.231 2 ↓
Lo Low (pH 4.5-6) -0.45 4.34 -43.51 3 4 1 61 265.239 2 ↓

Analogs

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Popular Name: (3S)-3-amino-4,6-difluoro-1-[(5-methyl-2-furyl)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) -0.23 4.86 -8.44 2 4 0 59 278.258 2 ↓
Lo Low (pH 4.5-6) -0.23 5.17 -43.56 3 4 1 61 279.266 2 ↓

Analogs

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

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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 4.77 -8.77 2 4 0 59 343.127 2 ↓
Lo Low (pH 4.5-6) 0.48 5.08 -44.31 3 4 1 61 344.135 2 ↓

Analogs

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Popular Name: (3S)-3-amino-4,6-difluoro-1-[(5-iodo-2-furyl)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) 0.76 5.24 -8.34 2 4 0 59 390.127 2 ↓
Lo Low (pH 4.5-6) 0.76 5.55 -43.94 3 4 1 61 391.135 2 ↓

Analogs

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

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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) 0.35 4.66 -8.83 2 4 0 59 298.676 2 ↓
Lo Low (pH 4.5-6) 0.35 4.96 -44.44 3 4 1 61 299.684 2 ↓

Parameters Provided:

ring.id = 614668
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 = 614668 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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