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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: 4-(8-ethoxy-2-oxo-chromen-3-yl)-7-hydroxy-8-(1-piperidylmethyl)chromen-2-one 4-(8-ethoxy-2-oxo-chromen-3-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) 4.73 12.27 -43.02 2 7 1 94 448.495 5 ↓
Hi High (pH 8-9.5) 4.73 13.06 -33.07 1 7 0 97 447.487 5 ↓

Analogs

41511807
41511807
8951962
8951962

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Popular Name: 7-hydroxy-4-(8-methoxy-2-oxo-chromen-3-yl)-8-[[(2R)-2-methyl-1-piperidyl]methyl]chromen-2-one 7-hydroxy-4-(8-methoxy-2-oxo-chr…

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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) 4.68 11.84 -41.4 2 7 1 94 448.495 4 ↓
Hi High (pH 8-9.5) 4.68 12.61 -31.92 1 7 0 97 447.487 4 ↓

Analogs

8951962
8951962

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Popular Name: 7-hydroxy-4-(8-methoxy-2-oxo-chromen-3-yl)-8-[[(2S)-2-methyl-1-piperidyl]methyl]chromen-2-one 7-hydroxy-4-(8-methoxy-2-oxo-chr…

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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) 4.68 12.22 -41.6 2 7 1 94 448.495 4 ↓
Hi High (pH 8-9.5) 4.68 12.79 -30.85 1 7 0 97 447.487 4 ↓

Analogs

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Popular Name: 7-hydroxy-4-(8-methoxy-2-oxo-chromen-3-yl)-8-[(4-methyl-1-piperidyl)methyl]chromen-2-one 7-hydroxy-4-(8-methoxy-2-oxo-chr…

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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) 4.59 12.35 -44.02 2 7 1 94 448.495 4 ↓
Hi High (pH 8-9.5) 4.59 12.92 -32.35 1 7 0 97 447.487 4 ↓

Analogs

41583838
41583838
41583839
41583839
8788796
8788796

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Popular Name: 4-(6-bromo-2-oxo-chromen-3-yl)-8-[[(3S,5R)-3,5-dimethyl-1-piperidyl]methyl]-7-hydroxy-chromen-2-one 4-(6-bromo-2-oxo-chromen-3-yl)-8…

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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) 5.85 13.44 -40.41 2 6 1 85 511.392 3 ↓
Hi High (pH 8-9.5) 5.85 14.21 -26.32 1 6 0 88 510.384 3 ↓

Analogs

41583839
41583839
8788796
8788796

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Popular Name: 4-(6-bromo-2-oxo-chromen-3-yl)-8-[[(3S,5S)-3,5-dimethyl-1-piperidyl]methyl]-7-hydroxy-chromen-2-one 4-(6-bromo-2-oxo-chromen-3-yl)-8…

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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) 5.85 13.45 -39.41 2 6 1 85 511.392 3 ↓
Hi High (pH 8-9.5) 5.85 14.23 -26.35 1 6 0 88 510.384 3 ↓

Analogs

8788796
8788796

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Popular Name: 4-(6-bromo-2-oxo-chromen-3-yl)-8-[[(3R,5R)-3,5-dimethyl-1-piperidyl]methyl]-7-hydroxy-chromen-2-one 4-(6-bromo-2-oxo-chromen-3-yl)-8…

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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) 5.85 13.44 -39.48 2 6 1 85 511.392 3 ↓
Hi High (pH 8-9.5) 5.85 14.22 -26.83 1 6 0 88 510.384 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) 4.45 13.59 -50.43 2 8 1 111 476.505 6 ↓
Hi High (pH 8-9.5) 4.45 11.32 -19.07 1 8 0 110 475.497 6 ↓
Hi High (pH 8-9.5) 4.45 14.16 -34.79 1 8 0 114 475.497 6 ↓

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) 5.10 14.11 -49.38 2 8 1 111 510.95 6 ↓
Hi High (pH 8-9.5) 5.10 11.84 -17.29 1 8 0 110 509.942 6 ↓
Hi High (pH 8-9.5) 5.10 14.68 -32.44 1 8 0 114 509.942 6 ↓

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) 4.46 13.31 -53.6 2 9 1 121 506.531 7 ↓
Hi High (pH 8-9.5) 4.46 11.01 -22.45 1 9 0 119 505.523 7 ↓
Hi High (pH 8-9.5) 4.46 13.88 -38.45 1 9 0 123 505.523 7 ↓

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) 4.83 14.04 -53.75 2 9 1 121 520.558 8 ↓
Hi High (pH 8-9.5) 4.83 11.77 -24.2 1 9 0 119 519.55 8 ↓
Hi High (pH 8-9.5) 4.83 14.79 -38.45 1 9 0 123 519.55 8 ↓

Analogs

41586560
41586560

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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) 4.45 13.55 -44.8 2 8 1 111 476.505 6 ↓
Hi High (pH 8-9.5) 4.45 14.13 -30.26 1 8 0 114 475.497 6 ↓
Hi High (pH 8-9.5) 4.45 11.3 -18.01 1 8 0 110 475.497 6 ↓

Analogs

41586559
41586559

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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) 4.45 13.15 -45.35 2 8 1 111 476.505 6 ↓
Hi High (pH 8-9.5) 4.45 10.92 -17 1 8 0 110 475.497 6 ↓
Hi High (pH 8-9.5) 4.45 13.93 -31.24 1 8 0 114 475.497 6 ↓

Analogs

41586562
41586562

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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) 5.10 14.07 -44.17 2 8 1 111 510.95 6 ↓
Hi High (pH 8-9.5) 5.10 14.65 -28.12 1 8 0 114 509.942 6 ↓
Hi High (pH 8-9.5) 5.10 11.82 -16.4 1 8 0 110 509.942 6 ↓

Analogs

41586561
41586561

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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) 5.10 13.68 -44.73 2 8 1 111 510.95 6 ↓
Hi High (pH 8-9.5) 5.10 14.44 -29.2 1 8 0 114 509.942 6 ↓
Hi High (pH 8-9.5) 5.10 11.43 -15.41 1 8 0 110 509.942 6 ↓

Analogs

41586564
41586564

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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) 4.46 13.26 -47.97 2 9 1 121 506.531 7 ↓
Hi High (pH 8-9.5) 4.46 13.83 -33.71 1 9 0 123 505.523 7 ↓
Hi High (pH 8-9.5) 4.46 10.99 -21.14 1 9 0 119 505.523 7 ↓

Analogs

41586563
41586563

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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) 4.46 12.86 -48.5 2 9 1 121 506.531 7 ↓
Hi High (pH 8-9.5) 4.46 13.63 -34.75 1 9 0 123 505.523 7 ↓
Hi High (pH 8-9.5) 4.46 10.62 -20.13 1 9 0 119 505.523 7 ↓

Analogs

41586566
41586566

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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) 4.83 13.8 -46.46 2 9 1 121 520.558 8 ↓
Hi High (pH 8-9.5) 4.83 11.54 -21.34 1 9 0 119 519.55 8 ↓
Hi High (pH 8-9.5) 4.83 14.57 -34.73 1 9 0 123 519.55 8 ↓

Analogs

41586565
41586565

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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) 4.83 13.99 -46.85 2 9 1 121 520.558 8 ↓
Hi High (pH 8-9.5) 4.83 14.74 -33.68 1 9 0 123 519.55 8 ↓
Hi High (pH 8-9.5) 4.83 11.73 -21.77 1 9 0 119 519.55 8 ↓

Parameters Provided:

ring.id = 537592
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 = 537592 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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