UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

43399497
43399497
43399498
43399498

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Popular Name: N'-hydroxy-2-[(2R)-2-methylindolin-1-yl]pyridine-3-carboxamidine N'-hydroxy-2-[(2R)-2-methylindol…

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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) 1.43 6.18 -12.53 3 5 0 75 268.32 2 ↓
Lo Low (pH 4.5-6) 1.43 6.61 -38.79 4 5 1 76 269.328 2 ↓

Analogs

43399497
43399497
43399498
43399498

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Popular Name: N'-hydroxy-2-[(2S)-2-methylindolin-1-yl]pyridine-3-carboxamidine N'-hydroxy-2-[(2S)-2-methylindol…

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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) 1.43 6.2 -12.73 3 5 0 75 268.32 2 ↓
Lo Low (pH 4.5-6) 1.43 6.63 -38.55 4 5 1 76 269.328 2 ↓

Analogs

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Popular Name: 6-[(2R)-2-methylindolin-1-yl]pyridine-3-carboxamidine 6-[(2R)-2-methylindolin-1-yl]pyr…

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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) 1.55 6.38 -41.72 4 4 1 68 253.329 2 ↓

Analogs

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Popular Name: 6-[(2S)-2-methylindolin-1-yl]pyridine-3-carboxamidine 6-[(2S)-2-methylindolin-1-yl]pyr…

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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) 1.55 6.38 -41.72 4 4 1 68 253.329 2 ↓

Analogs

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Popular Name: 2-indolin-1-ylpyridine-4-carbonitrile 2-indolin-1-ylpyridine-4-carboni…

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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) 2.54 8.42 -8.01 0 3 0 40 221.263 1 ↓

Analogs

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Popular Name: 2-tert-butoxy-6-indolin-1-yl-pyridin-3-amine 2-tert-butoxy-6-indolin-1-yl-pyr…

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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) 3.85 8.07 -6.34 2 4 0 51 283.375 3 ↓

Analogs

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Popular Name: 6-indolin-1-yl-2-isobutoxy-pyridin-3-amine 6-indolin-1-yl-2-isobutoxy-pyrid…

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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) 3.79 6.95 -7.48 2 4 0 51 283.375 4 ↓

Analogs

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Popular Name: 6-indolin-1-yl-2-propoxy-pyridin-3-amine 6-indolin-1-yl-2-propoxy-pyridin…

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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) 3.54 6.25 -7.65 2 4 0 51 269.348 4 ↓

Analogs

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Popular Name: 6-indolin-1-yl-2-isopropoxy-pyridin-3-amine 6-indolin-1-yl-2-isopropoxy-pyri…

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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) 3.40 6.37 -7.41 2 4 0 51 269.348 3 ↓

Analogs

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Popular Name: 2-ethoxy-6-indolin-1-yl-pyridin-3-amine 2-ethoxy-6-indolin-1-yl-pyridin-…

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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) 3.04 5.45 -7.81 2 4 0 51 255.321 3 ↓

Analogs

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Popular Name: 6-indolin-1-yl-2-methoxy-pyridin-3-amine 6-indolin-1-yl-2-methoxy-pyridin…

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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) 2.66 4.52 -7.94 2 4 0 51 241.294 2 ↓

Analogs

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Popular Name: 6-[(2S)-2-methylindolin-1-yl]-2-propoxy-pyridin-3-amine 6-[(2S)-2-methylindolin-1-yl]-2-…

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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) 3.87 7.51 -8.2 2 4 0 51 283.375 4 ↓

Analogs

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Popular Name: 6-[(2R)-2-methylindolin-1-yl]-2-propoxy-pyridin-3-amine 6-[(2R)-2-methylindolin-1-yl]-2-…

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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) 3.87 7.49 -8.18 2 4 0 51 283.375 4 ↓

Analogs

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Popular Name: 2-isopropoxy-6-[(2R)-2-methylindolin-1-yl]pyridin-3-amine 2-isopropoxy-6-[(2R)-2-methylind…

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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) 3.73 7.5 -7.99 2 4 0 51 283.375 3 ↓

Analogs

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Popular Name: 2-isopropoxy-6-[(2S)-2-methylindolin-1-yl]pyridin-3-amine 2-isopropoxy-6-[(2S)-2-methylind…

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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) 3.73 7.45 -7.99 2 4 0 51 283.375 3 ↓

Analogs

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Popular Name: 2-ethoxy-6-[(2S)-2-methylindolin-1-yl]pyridin-3-amine 2-ethoxy-6-[(2S)-2-methylindolin…

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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) 3.37 6.71 -8.35 2 4 0 51 269.348 3 ↓

Analogs

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Popular Name: 2-ethoxy-6-[(2R)-2-methylindolin-1-yl]pyridin-3-amine 2-ethoxy-6-[(2R)-2-methylindolin…

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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) 3.37 6.69 -8.34 2 4 0 51 269.348 3 ↓

Analogs

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Popular Name: 2-methoxy-6-[(2R)-2-methylindolin-1-yl]pyridin-3-amine 2-methoxy-6-[(2R)-2-methylindoli…

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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) 2.99 5.74 -8.38 2 4 0 51 255.321 2 ↓

Analogs

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Popular Name: 2-methoxy-6-[(2S)-2-methylindolin-1-yl]pyridin-3-amine 2-methoxy-6-[(2S)-2-methylindoli…

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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) 2.99 5.77 -8.39 2 4 0 51 255.321 2 ↓

Analogs

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Popular Name: (2R)-1-(6-bromo-2-pyridyl)-2-methyl-indoline (2R)-1-(6-bromo-2-pyridyl)-2-met…

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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) 4.31 9.53 -8.4 0 2 0 16 289.176 1 ↓

Analogs

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Popular Name: (2S)-1-(6-bromo-2-pyridyl)-2-methyl-indoline (2S)-1-(6-bromo-2-pyridyl)-2-met…

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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) 4.31 9.54 -8.37 0 2 0 16 289.176 1 ↓

Analogs

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Popular Name: 5-bromo-1-(5-nitro-2-pyridyl)indoline 5-bromo-1-(5-nitro-2-pyridyl)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) 3.74 9.36 -6.85 0 5 0 62 320.146 2 ↓

Analogs

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Popular Name: 5-bromo-1-(3-nitro-2-pyridyl)indoline 5-bromo-1-(3-nitro-2-pyridyl)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) 3.53 9.76 -10.59 0 5 0 62 320.146 2 ↓

Analogs

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Popular Name: 6-(5-bromoindolin-1-yl)pyridine-3-carbonitrile 6-(5-bromoindolin-1-yl)pyridine-…

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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) 3.38 9.04 -7.44 0 3 0 40 300.159 1 ↓

Analogs

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Popular Name: 1-(6-chloro-3-nitro-2-pyridyl)indoline 1-(6-chloro-3-nitro-2-pyridyl)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) 3.76 9.55 -8.94 0 5 0 62 275.695 2 ↓

Analogs

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Popular Name: 5-amino-2-indolin-1-yl-pyridine-3-carboxamide 5-amino-2-indolin-1-yl-pyridine-…

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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) 1.23 3.26 -14.16 4 5 0 85 254.293 2 ↓
Mid Mid (pH 6-8) 1.23 3.7 -37.74 5 5 1 86 255.301 2 ↓

Analogs

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Popular Name: 5-amino-2-[(2R)-2-methylindolin-1-yl]pyridine-3-carboxamide 5-amino-2-[(2R)-2-methylindolin-…

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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) 1.56 3.77 -13.69 4 5 0 85 268.32 2 ↓
Mid Mid (pH 6-8) 1.56 4.24 -37.12 5 5 1 86 269.328 2 ↓

Analogs

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Popular Name: 5-amino-2-[(2S)-2-methylindolin-1-yl]pyridine-3-carboxamide 5-amino-2-[(2S)-2-methylindolin-…

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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) 1.56 3.77 -13.84 4 5 0 85 268.32 2 ↓
Mid Mid (pH 6-8) 1.56 4.24 -37.02 5 5 1 86 269.328 2 ↓

Parameters Provided:

ring.id = 46149
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 = 46149 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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