UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[(1S)-1-cyclopropylethyl]-2-(methylamino)quinoline-6-sulfonamide N-[(1S)-1-cyclopropylethyl]-2-(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) 2.39 3.64 -11.78 2 5 0 71 305.403 5 ↓
Lo Low (pH 4.5-6) 2.39 4.08 -36.09 3 5 1 72 306.411 5 ↓

Analogs

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Popular Name: N-[(1R)-1-cyclopropylethyl]-2-(methylamino)quinoline-6-sulfonamide N-[(1R)-1-cyclopropylethyl]-2-(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) 2.39 3.57 -11.81 2 5 0 71 305.403 5 ↓
Lo Low (pH 4.5-6) 2.39 4.01 -36.44 3 5 1 72 306.411 5 ↓

Analogs

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Popular Name: 2-amino-N-[(1S)-1-cyclopropylethyl]quinoline-6-sulfonamide 2-amino-N-[(1S)-1-cyclopropyleth…

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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) 2.01 2.74 -11.82 3 5 0 85 291.376 4 ↓
Lo Low (pH 4.5-6) 2.01 3.18 -38.27 4 5 1 86 292.384 4 ↓

Analogs

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Popular Name: 2-amino-N-[(1R)-1-cyclopropylethyl]quinoline-6-sulfonamide 2-amino-N-[(1R)-1-cyclopropyleth…

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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) 2.01 2.66 -11.92 3 5 0 85 291.376 4 ↓
Lo Low (pH 4.5-6) 2.01 3.1 -38.65 4 5 1 86 292.384 4 ↓

Analogs

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Popular Name: 2-amino-N-[(1S)-1-cyclopropylethyl]-N-methyl-quinoline-6-sulfonamide 2-amino-N-[(1S)-1-cyclopropyleth…

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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) 2.26 4.4 -11.84 2 5 0 76 305.403 4 ↓

Analogs

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Popular Name: 2-amino-N-[(1R)-1-cyclopropylethyl]-N-methyl-quinoline-6-sulfonamide 2-amino-N-[(1R)-1-cyclopropyleth…

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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) 2.26 4.42 -12.13 2 5 0 76 305.403 4 ↓

Analogs

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Popular Name: N-(cyclopropylmethyl)-N-methyl-2-(methylamino)quinoline-6-sulfonamide N-(cyclopropylmethyl)-N-methyl-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) 2.30 4.97 -11.59 1 5 0 62 305.403 5 ↓
Lo Low (pH 4.5-6) 2.30 5.41 -35.69 2 5 1 64 306.411 5 ↓

Analogs

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Popular Name: 2-amino-N-(cyclopropylmethyl)-N-methyl-quinoline-6-sulfonamide 2-amino-N-(cyclopropylmethyl)-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) 1.93 4.1 -12.61 2 5 0 76 291.376 4 ↓

Analogs

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Popular Name: 2-chloro-N-(cyclopropylmethyl)-N-ethyl-quinoline-6-sulfonamide 2-chloro-N-(cyclopropylmethyl)-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) 3.50 6.58 -10.89 0 4 0 50 324.833 5 ↓

Analogs

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Popular Name: 2-amino-N-(cyclopropylmethyl)-N-ethyl-quinoline-6-sulfonamide 2-amino-N-(cyclopropylmethyl)-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) 2.30 4.89 -12.17 2 5 0 76 305.403 5 ↓

Parameters Provided:

ring.id = 12552
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 = 12552 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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