UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

8162148
8162148

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Popular Name: 2-cyclopropyl-N-(2-dimethylamino-2-oxo-ethyl)-N-methyl-quinoline-4-carboxamide 2-cyclopropyl-N-(2-dimethylamino…

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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 7.6 -19.05 0 5 0 54 311.385 4 ↓

Analogs

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Popular Name: N-tert-butyl-2-cyclopropyl-quinoline-4-carboxamide N-tert-butyl-2-cyclopropyl-quino…

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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) 3.36 7.33 -9.33 1 3 0 42 268.36 3 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.38 4.97 -10.92 2 6 0 80 299.33 5 ↓

Analogs

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Popular Name: tert-butyl tert-butyl

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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 10.2 -14.45 0 5 0 60 340.423 6 ↓

Analogs

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Popular Name: methyl methyl

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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 9.52 -13.28 0 5 0 60 326.396 7 ↓

Analogs

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Popular Name: N-[(1R)-2-amino-1-(methoxymethyl)-1-methyl-2-oxo-ethyl]-2-cyclopropyl-quinoline-4-carboxamide N-[(1R)-2-amino-1-(methoxymethyl…

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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) 1.32 2.8 -18.72 3 6 0 94 327.384 6 ↓

Analogs

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Popular Name: N-[(1S)-2-amino-1-(methoxymethyl)-1-methyl-2-oxo-ethyl]-2-cyclopropyl-quinoline-4-carboxamide N-[(1S)-2-amino-1-(methoxymethyl…

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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) 1.32 2.8 -18.98 3 6 0 94 327.384 6 ↓

Analogs

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Popular Name: 6-Bromo-4-chloro-2-cyclopropylquinoline-3-carbonitrile 6-Bromo-4-chloro-2-cyclopropylqu…

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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) 4.12 8.42 -3.74 0 2 0 37 307.578 1 ↓

Analogs

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Popular Name: 2-cyclopropylquinolin-4-amine 2-cyclopropylquinolin-4-amine

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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) 2.46 5.25 -23.44 3 2 1 40 185.25 1 ↓

Analogs

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Popular Name: N-(2-bromoallyl)-2-cyclopropyl-quinoline-4-carboxamide N-(2-bromoallyl)-2-cyclopropyl-q…

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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) 3.28 7.2 -9.01 1 3 0 42 331.213 4 ↓

Analogs

20285264
20285264
19088400
19088400
195179
195179

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Popular Name: 2-cyclopropyl-7-methoxy-quinoline-4-carboxylic 2-cyclopropyl-7-methoxy-quinolin…

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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) 2.58 6.64 -45.82 0 4 -1 62 242.254 3 ↓
Mid Mid (pH 6-8) 2.58 7.01 -35.54 1 4 0 63 243.262 3 ↓

Analogs

1712169
1712169

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Popular Name: 6,8-dibromo-2-cyclopropyl-quinoline-4-carboxylic 6,8-dibromo-2-cyclopropyl-quinol…

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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) 4.07 8.67 -40.93 0 3 -1 53 370.02 2 ↓

Analogs

1712169
1712169

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Popular Name: 8-bromo-2-cyclopropyl-6-fluoro-quinoline-4-carboxylic 8-bromo-2-cyclopropyl-6-fluoro-q…

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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) 2.46 8.14 -41.98 0 3 -1 53 309.114 2 ↓

Analogs

3757112
3757112
3756867
3756867

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Popular Name: 7,8-dichloro-2-cyclopropyl-quinoline-4-carboxylic 7,8-dichloro-2-cyclopropyl-quino…

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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) 3.81 8.4 -40 0 3 -1 53 281.118 2 ↓

Analogs

20284992
20284992
1459148
1459148

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Popular Name: 2-cyclopropyl-8-fluoro-6-methyl-quinoline-4-carboxylic 2-cyclopropyl-8-fluoro-6-methyl-…

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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) 3.07 8.08 -45.32 0 3 -1 53 244.245 2 ↓

Analogs

1712169
1712169

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Popular Name: 6-bromo-2-cyclopropyl-8-methyl-quinoline-4-carboxylic 6-bromo-2-cyclopropyl-8-methyl-q…

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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) 3.71 8.78 -45.91 0 3 -1 53 305.151 2 ↓
Lo Low (pH 4.5-6) 3.71 9.07 -38.65 1 3 0 54 306.159 2 ↓

Analogs

20284992
20284992

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Popular Name: 5-chloro-2-cyclopropyl-8-fluoro-quinoline-4-carboxylic 5-chloro-2-cyclopropyl-8-fluoro-…

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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) 3.30 7.92 -47.93 0 3 -1 53 264.663 2 ↓

Analogs

3757112
3757112
195179
195179

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Popular Name: 7-chloro-2-cyclopropyl-quinoline-4-carboxylic 7-chloro-2-cyclopropyl-quinoline…

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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) 3.21 7.86 -42.39 0 3 -1 53 246.673 2 ↓

Analogs

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Popular Name: 2-cyclopropyl-5,7-difluoro-quinoline-4-carboxylic 2-cyclopropyl-5,7-difluoro-quino…

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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) 2.78 7.6 -48.95 0 3 -1 53 248.208 2 ↓

Analogs

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Popular Name: 6-bromo-2-cyclopropyl-7-fluoro-quinoline-4-carboxylic 6-bromo-2-cyclopropyl-7-fluoro-q…

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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) 3.43 8 -39.95 0 3 -1 53 309.114 2 ↓

Analogs

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Popular Name: 5-chloro-2-cyclopropyl-quinoline-4-carboxylic 5-chloro-2-cyclopropyl-quinoline…

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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) 3.18 7.85 -52.04 0 3 -1 53 246.673 2 ↓

Parameters Provided:

ring.id = 142494
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 = 142494 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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