UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-amino-6-(3-methylpyrazol-1-yl)indolin-2-one 5-amino-6-(3-methylpyrazol-1-yl)…

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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 3.06 -9.48 3 5 0 73 228.255 1 ↓

Analogs

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Popular Name: 5-amino-6-(3-isopropylpyrazol-1-yl)indolin-2-one 5-amino-6-(3-isopropylpyrazol-1-…

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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) 1.92 4.33 -9.17 3 5 0 73 256.309 2 ↓

Analogs

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Popular Name: 1-(5-amino-2-oxo-indolin-6-yl)-N-methyl-pyrazole-3-carboxamide 1-(5-amino-2-oxo-indolin-6-yl)-N…

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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) 0.08 0.71 -13.23 4 7 0 102 271.28 2 ↓

Analogs

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Popular Name: 1-(5-amino-2-oxo-indolin-6-yl)-N,N-dimethyl-pyrazole-3-carboxamide 1-(5-amino-2-oxo-indolin-6-yl)-N…

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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) 0.32 2.91 -13.41 3 7 0 93 285.307 2 ↓

Analogs

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Popular Name: 1-[(3R)-3-(ethylamino)-2-oxo-indolin-6-yl]pyrazole-3-carboxamide 1-[(3R)-3-(ethylamino)-2-oxo-ind…

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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) 0.02 -0.49 -15.03 4 7 0 102 285.307 4 ↓
Mid Mid (pH 6-8) 0.02 0.76 -53.38 5 7 1 107 286.315 4 ↓
Mid Mid (pH 6-8) 0.02 0.76 -53.49 5 7 1 107 286.315 4 ↓

Analogs

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Popular Name: 1-[(3R)-3-(methylamino)-2-oxo-indolin-6-yl]pyrazole-3-carboxamide 1-[(3R)-3-(methylamino)-2-oxo-in…

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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) -0.36 -1.4 -15.18 4 7 0 102 271.28 3 ↓
Mid Mid (pH 6-8) -0.36 -0.07 -55.21 5 7 1 107 272.288 3 ↓
Mid Mid (pH 6-8) -0.36 -0.07 -55.28 5 7 1 107 272.288 3 ↓

Analogs

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Popular Name: 1-[(3R)-3-amino-2-oxo-indolin-6-yl]-N-methyl-pyrazole-3-carboxamide 1-[(3R)-3-amino-2-oxo-indolin-6-…

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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) -2.24 -0.72 -13.23 4 7 0 102 271.28 2 ↓
Mid Mid (pH 6-8) -2.24 -0.41 -61.59 5 7 1 104 272.288 2 ↓
Mid Mid (pH 6-8) -2.24 -0.41 -61.59 5 7 1 104 272.288 2 ↓

Analogs

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Popular Name: N-methyl-1-[(3R)-3-(methylamino)-2-oxo-indolin-6-yl]pyrazole-3-carboxamide N-methyl-1-[(3R)-3-(methylamino)…

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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) 0.02 0.09 -15.47 3 7 0 88 285.307 3 ↓
Mid Mid (pH 6-8) 0.02 1.42 -55.45 4 7 1 93 286.315 3 ↓
Mid Mid (pH 6-8) 0.02 1.42 -55.58 4 7 1 93 286.315 3 ↓

Analogs

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Popular Name: 1-[(3R)-3-amino-2-oxo-indolin-6-yl]-N,N-dimethyl-pyrazole-3-carboxamide 1-[(3R)-3-amino-2-oxo-indolin-6-…

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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) -1.99 1.5 -13.52 3 7 0 93 285.307 2 ↓
Mid Mid (pH 6-8) -1.99 1.82 -62.03 4 7 1 95 286.315 2 ↓
Mid Mid (pH 6-8) -1.99 1.82 -61.99 4 7 1 95 286.315 2 ↓

Analogs

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Popular Name: 1-[(3R)-3-(ethylamino)-2-oxo-indolin-6-yl]pyrazole-4-carboxamide 1-[(3R)-3-(ethylamino)-2-oxo-ind…

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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) -0.30 -0.5 -15.02 4 7 0 102 285.307 4 ↓
Mid Mid (pH 6-8) -0.30 0.75 -50.45 5 7 1 107 286.315 4 ↓
Mid Mid (pH 6-8) -0.30 0.75 -50.43 5 7 1 107 286.315 4 ↓

Analogs

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Popular Name: 1-[(3R)-3-(methylamino)-2-oxo-indolin-6-yl]pyrazole-4-carboxamide 1-[(3R)-3-(methylamino)-2-oxo-in…

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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) -0.67 -1.42 -15.09 4 7 0 102 271.28 3 ↓
Mid Mid (pH 6-8) -0.67 -0.08 -52.26 5 7 1 107 272.288 3 ↓
Mid Mid (pH 6-8) -0.67 -0.08 -52.34 5 7 1 107 272.288 3 ↓

Parameters Provided:

ring.id = 28553
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 = 28553 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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