UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

33755830
33755830

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Popular Name: 2-(3-diethylaminopropylamino)benzo[h]chromen-4-one 2-(3-diethylaminopropylamino)ben…

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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) 4.64 7.68 -89.36 3 4 2 52 326.44 6 ↓
Hi High (pH 8-9.5) 4.01 9.62 -50.62 2 4 1 47 325.432 7 ↓

Analogs

33755830
33755830
34227092
34227092
34227093
34227093

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Popular Name: 2-(3-methoxypropylamino)benzo[h]chromen-4-one 2-(3-methoxypropylamino)benzo[h]…

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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 4.15 -30.83 2 4 1 57 284.335 4 ↓

Analogs

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Popular Name: 2-[(1-benzyl-4-piperidyl)amino]benzo[h]chromen-4-one 2-[(1-benzyl-4-piperidyl)amino]b…

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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) 5.41 11.35 -90.36 3 4 2 52 386.495 3 ↓

Analogs

33825692
33825692
33827382
33827382
34227093
34227093

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Popular Name: 2-(2,2-dimethoxyethylamino)benzo[h]chromen-4-one 2-(2,2-dimethoxyethylamino)benzo…

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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 3.32 -28.37 2 5 1 66 300.334 4 ↓

Analogs

33755830
33755830
33825692
33825692
33827382
33827382
33827383
33827383
34227092
34227092

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Popular Name: 2-butylaminobenzo[h]chromen-4-one 2-butylaminobenzo[h]chromen-4-one

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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) 5.03 5.87 -28.45 2 3 1 47 268.336 3 ↓

Analogs

33755830
33755830
33825692
33825692
33827382
33827382
33827383
33827383
34227092
34227092

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Popular Name: 2-(3-hydroxypropylamino)benzo[h]chromen-4-one 2-(3-hydroxypropylamino)benzo[h]…

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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) 3.23 1.56 -33.79 3 4 1 68 270.308 3 ↓

Analogs

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Popular Name: 2-[[(2R)-2-hydroxy-2-phenyl-ethyl]amino]benzo[h]chromen-4-one 2-[[(2R)-2-hydroxy-2-phenyl-ethy…

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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) 4.41 5.11 -34.28 3 4 1 68 332.379 3 ↓

Analogs

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Popular Name: 2-[[(2S)-2-hydroxy-2-phenyl-ethyl]amino]benzo[h]chromen-4-one 2-[[(2S)-2-hydroxy-2-phenyl-ethy…

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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) 4.41 4.92 -33.39 3 4 1 68 332.379 3 ↓

Analogs

33755830
33755830
34227092
34227092
34227093
34227093

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Popular Name: 2-[[(2R)-2-hydroxypropyl]amino]benzo[h]chromen-4-one 2-[[(2R)-2-hydroxypropyl]amino]b…

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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) 3.32 2.02 -32.35 3 4 1 68 270.308 2 ↓

Analogs

33755830
33755830
34227092
34227092
34227093
34227093

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Popular Name: 2-[[(2S)-2-hydroxypropyl]amino]benzo[h]chromen-4-one 2-[[(2S)-2-hydroxypropyl]amino]b…

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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) 3.32 1.83 -31.44 3 4 1 68 270.308 2 ↓

Analogs

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Popular Name: 2-[[(1S)-1-(hydroxymethyl)propyl]amino]benzo[h]chromen-4-one 2-[[(1S)-1-(hydroxymethyl)propyl…

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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) 3.83 2.79 -28.2 3 4 1 68 284.335 3 ↓

Analogs

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Popular Name: 2-[[(1R)-1-(hydroxymethyl)propyl]amino]benzo[h]chromen-4-one 2-[[(1R)-1-(hydroxymethyl)propyl…

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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) 3.83 2.77 -28.16 3 4 1 68 284.335 3 ↓

Analogs

33755828
33755828
33825692
33825692
33827382
33827382
33827393
33827393
34227092
34227092

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Popular Name: 2-(2-methoxyethylamino)benzo[h]chromen-4-one 2-(2-methoxyethylamino)benzo[h]c…

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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) 3.58 3.4 -29.03 2 4 1 57 270.308 3 ↓

Analogs

33755828
33755828
33755829
33755829
33825692
33825692
33827382
33827382
33827388
33827388

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Popular Name: 2-(isopropylamino)benzo[h]chromen-4-one 2-(isopropylamino)benzo[h]chrome…

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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) 4.27 5.09 -26.95 2 3 1 47 254.309 1 ↓

Parameters Provided:

ring.id = 223435
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 = 223435 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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