UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-amino-6-[ethyl(2-thienylmethyl)amino]indolin-2-one 5-amino-6-[ethyl(2-thienylmethyl…

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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) 2.27 6.17 -6.11 3 4 0 58 287.388 4 ↓

Analogs

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Popular Name: (3R)-3-amino-6-[ethyl(2-thienylmethyl)amino]indolin-2-one (3R)-3-amino-6-[ethyl(2-thienylm…

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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) 0.17 4.48 -46 4 4 1 60 288.396 4 ↓
Mid Mid (pH 6-8) 0.17 4.18 -6.4 3 4 0 58 287.388 4 ↓

Analogs

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Popular Name: (3R)-6-[ethyl(2-thienylmethyl)amino]-3-(methylamino)indolin-2-one (3R)-6-[ethyl(2-thienylmethyl)am…

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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) 2.42 6.31 -40.45 3 4 1 49 302.423 5 ↓
Mid Mid (pH 6-8) 2.42 4.97 -6.46 2 4 0 44 301.415 5 ↓

Analogs

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Popular Name: (3R)-6-[ethyl(2-thienylmethyl)amino]-3-hydroxy-indolin-2-one (3R)-6-[ethyl(2-thienylmethyl)am…

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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) 1.87 3.9 -8.1 2 4 0 53 288.372 4 ↓

Analogs

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Popular Name: 5-amino-6-[(5-chloro-2-thienyl)methyl-methyl-amino]indolin-2-one 5-amino-6-[(5-chloro-2-thienyl)m…

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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) 2.70 5.86 -6.38 3 4 0 58 307.806 3 ↓

Analogs

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Popular Name: (3R)-3-amino-6-[(5-chloro-2-thienyl)methyl-methyl-amino]indolin-2-one (3R)-3-amino-6-[(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) 0.60 4.18 -47.6 4 4 1 60 308.814 3 ↓
Mid Mid (pH 6-8) 0.60 3.86 -7.12 3 4 0 58 307.806 3 ↓

Analogs

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Popular Name: (3R)-6-[(5-chloro-2-thienyl)methyl-methyl-amino]-3-(methylamino)indolin-2-one (3R)-6-[(5-chloro-2-thienyl)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) 2.85 6.07 -40.45 3 4 1 49 322.841 4 ↓
Mid Mid (pH 6-8) 2.85 4.74 -8.9 2 4 0 44 321.833 4 ↓

Analogs

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Popular Name: (3R)-6-[(5-chloro-2-thienyl)methyl-methyl-amino]-3-hydroxy-indolin-2-one (3R)-6-[(5-chloro-2-thienyl)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) 2.29 3.59 -8.84 2 4 0 53 308.79 3 ↓

Analogs

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Popular Name: 5-amino-6-[[(1S)-1-(2-thienyl)propyl]amino]indolin-2-one 5-amino-6-[[(1S)-1-(2-thienyl)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) 2.71 3.86 -7.29 4 4 0 67 287.388 4 ↓

Analogs

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Popular Name: 5-amino-6-[[(1R)-1-(2-thienyl)propyl]amino]indolin-2-one 5-amino-6-[[(1R)-1-(2-thienyl)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) 2.71 4.38 -7.95 4 4 0 67 287.388 4 ↓

Analogs

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Popular Name: 5-amino-6-[[(1S)-1-(2-thienyl)butyl]amino]indolin-2-one 5-amino-6-[[(1S)-1-(2-thienyl)bu…

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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) 3.27 5.17 -7.87 4 4 0 67 301.415 5 ↓

Analogs

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Popular Name: 5-amino-6-[[(1R)-1-(2-thienyl)butyl]amino]indolin-2-one 5-amino-6-[[(1R)-1-(2-thienyl)bu…

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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) 3.27 5.19 -7.86 4 4 0 67 301.415 5 ↓

Analogs

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Popular Name: 6-[(5-bromo-2-thienyl)methylamino]-5-nitro-indolin-2-one 6-[(5-bromo-2-thienyl)methylamin…

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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) 3.06 6.35 -10.66 2 6 0 87 368.212 4 ↓

Analogs

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Popular Name: 5-amino-6-[[(1S)-2-methyl-1-(2-thienyl)propyl]amino]indolin-2-one 5-amino-6-[[(1S)-2-methyl-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) 2.96 4.98 -7.78 4 4 0 67 301.415 4 ↓

Analogs

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Popular Name: 5-amino-6-[[(1R)-2-methyl-1-(2-thienyl)propyl]amino]indolin-2-one 5-amino-6-[[(1R)-2-methyl-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) 2.96 4.76 -7.1 4 4 0 67 301.415 4 ↓

Parameters Provided:

ring.id = 542686
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 = 542686 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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