UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

6526123
6526123
6526125
6526125

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Popular Name: (1,3-dimethylpyrazol-4-yl)-indolin-1-yl-methanone (1,3-dimethylpyrazol-4-yl)-indol…

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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) 1.66 6.64 -15.88 0 4 0 38 241.294 1 ↓

Analogs

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Popular Name: indolin-1-yl-(1-isopropyl-3-methyl-pyrazol-4-yl)methanone indolin-1-yl-(1-isopropyl-3-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) 2.40 1.39 -14.85 0 4 0 38 269.348 2 ↓

Analogs

12015892
12015892

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Popular Name: (1-isopropyl-3-methyl-pyrazol-4-yl)-[(2S)-2-methylindolin-1-yl]methanone (1-isopropyl-3-methyl-pyrazol-4-…

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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) 2.73 1.65 -14.76 0 4 0 38 283.375 2 ↓

Analogs

12015891
12015891

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Popular Name: (1-isopropyl-3-methyl-pyrazol-4-yl)-[(2R)-2-methylindolin-1-yl]methanone (1-isopropyl-3-methyl-pyrazol-4-…

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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) 2.73 1.65 -14.61 0 4 0 38 283.375 2 ↓

Analogs

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Popular Name: (3-tert-butyl-1-methyl-pyrazol-4-yl)-indolin-1-yl-methanone (3-tert-butyl-1-methyl-pyrazol-4…

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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) 3.39 2.05 -13.55 0 4 0 38 283.375 2 ↓

Analogs

12024644
12024644

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Popular Name: (3-tert-butyl-1-methyl-pyrazol-4-yl)-[(2R)-2-methylindolin-1-yl]methanone (3-tert-butyl-1-methyl-pyrazol-4…

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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) 3.72 2.41 -12.28 0 4 0 38 297.402 2 ↓

Analogs

12024638
12024638

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Popular Name: (3-tert-butyl-1-methyl-pyrazol-4-yl)-[(2S)-2-methylindolin-1-yl]methanone (3-tert-butyl-1-methyl-pyrazol-4…

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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) 3.72 2.41 -12.38 0 4 0 38 297.402 2 ↓

Analogs

36165472
36165472

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Popular Name: (3,5-dimethyl-1H-pyrazol-4-yl)-[(2S)-2-methylindolin-1-yl]methanone (3,5-dimethyl-1H-pyrazol-4-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) 2.15 6.41 -9.61 1 4 0 49 255.321 1 ↓

Analogs

36165470
36165470

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Popular Name: (3,5-dimethyl-1H-pyrazol-4-yl)-[(2R)-2-methylindolin-1-yl]methanone (3,5-dimethyl-1H-pyrazol-4-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) 2.15 6.4 -9.62 1 4 0 49 255.321 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3,5-dimethyl-1H-pyrazol-4-yl)-indolin-1-yl-methanone (3,5-dimethyl-1H-pyrazol-4-yl)-i…

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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) 1.82 5.73 -9.85 1 4 0 49 241.294 1 ↓

Analogs

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Popular Name: (5-aminoindolin-1-yl)-(1H-pyrazol-4-yl)methanone (5-aminoindolin-1-yl)-(1H-pyrazo…

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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) 0.43 2.6 -12.84 3 5 0 75 228.255 1 ↓

Analogs

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Popular Name: (6-aminoindolin-1-yl)-(1H-pyrazol-4-yl)methanone (6-aminoindolin-1-yl)-(1H-pyrazo…

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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) 0.43 2.6 -12.67 3 5 0 75 228.255 1 ↓

Analogs

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Popular Name: [(2R)-5-amino-2-methyl-indolin-1-yl]-(1H-pyrazol-4-yl)methanone [(2R)-5-amino-2-methyl-indolin-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) 0.76 2.95 -12.43 3 5 0 75 242.282 1 ↓

Analogs

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Popular Name: [(2S)-5-amino-2-methyl-indolin-1-yl]-(1H-pyrazol-4-yl)methanone [(2S)-5-amino-2-methyl-indolin-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) 0.76 2.99 -12.39 3 5 0 75 242.282 1 ↓

Analogs

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Popular Name: 1-(1H-pyrazole-4-carbonyl)indoline-5-sulfonamide 1-(1H-pyrazole-4-carbonyl)indoli…

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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) 0.04 -0.32 -18.3 3 7 0 109 292.32 2 ↓

Analogs

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Popular Name: (5-bromoindolin-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone (5-bromoindolin-1-yl)-(1,5-dimet…

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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) 2.45 7.17 -11.02 0 4 0 38 320.19 1 ↓

Analogs

42100458
42100458

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Popular Name: (5-bromoindolin-1-yl)-(5-chloro-1,3-dimethyl-pyrazol-4-yl)methanone (5-bromoindolin-1-yl)-(5-chloro-…

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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) 3.25 7.52 -8.32 0 4 0 38 354.635 1 ↓

Analogs

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Popular Name: (5-bromoindolin-1-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone (5-bromoindolin-1-yl)-(1,3,5-tri…

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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) 2.67 7.6 -10.08 0 4 0 38 334.217 1 ↓

Analogs

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Popular Name: 1-(1,5-dimethylpyrazole-4-carbonyl)indoline-5-carboxylic 1-(1,5-dimethylpyrazole-4-carbon…

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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 7.1 -57.55 0 6 -1 78 284.295 2 ↓

Analogs

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Popular Name: 1-(1-methylpyrazole-4-carbonyl)indoline-5-carboxylic 1-(1-methylpyrazole-4-carbonyl)i…

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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) 1.33 6.59 -58.01 0 6 -1 78 270.268 2 ↓

Parameters Provided:

ring.id = 74372
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 = 74372 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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