UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: BRD-K94350951-001-01-8 BRD-K94350951-001-01-8

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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) 4.34 11.24 -28.04 4 12 0 149 628.73 7 ↓

Analogs

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Popular Name: BRD-K95977186-001-01-4 BRD-K95977186-001-01-4

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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) 4.25 12.02 -44.43 3 10 1 105 645.821 12 ↓
Hi High (pH 8-9.5) 4.25 11.41 -16.23 2 10 0 104 644.813 12 ↓
Mid Mid (pH 6-8) 4.25 14.29 -87.92 4 10 2 106 646.829 12 ↓

Analogs

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Popular Name: BRD-K18764599-001-01-1 BRD-K18764599-001-01-1

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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) 4.00 8.82 -58.09 3 9 1 110 582.743 10 ↓
Hi High (pH 8-9.5) 4.00 6.65 -14.1 2 9 0 108 581.735 10 ↓

Analogs

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Popular Name: BRD-K76837865-001-01-1 BRD-K76837865-001-01-1

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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) 3.90 5.2 -18.65 2 10 0 133 615.774 9 ↓
Hi High (pH 8-9.5) 3.90 5.58 -51.73 1 10 -1 135 614.766 9 ↓

Analogs

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Popular Name: BRD-K66453893-001-01-5 BRD-K66453893-001-01-5

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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) 4.01 7.02 -16.62 2 9 0 116 620.09 10 ↓

Analogs

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Popular Name: BRD-K70766550-001-01-8 BRD-K70766550-001-01-8

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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) 3.19 7.37 -26.75 3 12 0 154 613.737 8 ↓

Analogs

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Popular Name: BRD-K09052256-001-01-6 BRD-K09052256-001-01-6

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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) 3.69 9.02 -67.93 2 8 0 102 558.528 8 ↓
Mid Mid (pH 6-8) 3.69 8.84 -65.8 3 8 1 100 559.536 8 ↓
Mid Mid (pH 6-8) 3.69 6.6 -56.19 1 8 -1 101 557.52 8 ↓

Analogs

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Popular Name: BRD-K16825171-001-01-8 BRD-K16825171-001-01-8

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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) 4.27 11.02 -74.51 4 10 1 114 575.686 8 ↓
Hi High (pH 8-9.5) 4.27 8.83 -24.2 3 10 0 113 574.678 8 ↓

Analogs

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Popular Name: BRD-K30059576-001-01-7 BRD-K30059576-001-01-7

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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) 4.71 11.73 -58.57 3 7 1 83 604.612 11 ↓
Mid Mid (pH 6-8) 4.71 9.76 -12.8 2 7 0 82 603.604 11 ↓

Analogs

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Popular Name: BRD-K94415948-001-01-5 BRD-K94415948-001-01-5

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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) 5.74 12.95 -62.38 3 8 1 100 628.815 10 ↓
Hi High (pH 8-9.5) 5.74 11.02 -61.89 1 8 -1 101 626.799 10 ↓
Hi High (pH 8-9.5) 5.74 10.98 -15.82 2 8 0 99 627.807 10 ↓

Analogs

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Popular Name: BRD-K19637448-001-01-1 BRD-K19637448-001-01-1

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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) 3.36 5.75 -23.73 4 11 0 132 555.676 8 ↓

Analogs

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Popular Name: BRD-K44666287-001-01-3 BRD-K44666287-001-01-3

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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) 3.73 4.32 -27.24 3 12 0 147 630.745 8 ↓

Analogs

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Popular Name: BRD-K04729689-001-01-1 BRD-K04729689-001-01-1

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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) 4.22 8.82 -29.89 4 12 0 142 603.676 7 ↓

Analogs

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Popular Name: BRD-K75757740-001-01-3 BRD-K75757740-001-01-3

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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) 3.51 6.23 -21.39 2 11 0 143 631.773 10 ↓
Hi High (pH 8-9.5) 3.51 6.13 -62.45 1 11 -1 145 630.765 10 ↓

Analogs

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Popular Name: BRD-K19335310-001-01-7 BRD-K19335310-001-01-7

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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) 1.74 3.71 -67.98 1 12 -1 153 610.76 9 ↓
Lo Low (pH 4.5-6) 1.74 3.62 -26.92 2 12 0 151 611.768 9 ↓

Analogs

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Popular Name: BRD-K78392528-001-01-4 BRD-K78392528-001-01-4

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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) 4.99 9.78 -59.36 3 8 1 100 576.755 9 ↓
Hi High (pH 8-9.5) 4.99 7.64 -13.2 2 8 0 99 575.747 9 ↓
Hi High (pH 8-9.5) 4.99 9.81 -67.84 2 8 0 102 575.747 9 ↓

Analogs

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Popular Name: BRD-K50392506-001-01-2 BRD-K50392506-001-01-2

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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) 3.98 10.08 -57.22 4 9 1 108 600.662 9 ↓
Mid Mid (pH 6-8) 3.98 8.13 -15.56 3 9 0 107 599.654 9 ↓

Analogs

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Popular Name: BRD-K91037362-001-01-7 BRD-K91037362-001-01-7

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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) 3.13 10.92 -85.36 3 9 0 123 523.63 9 ↓
Hi High (pH 8-9.5) 3.13 8.94 -60.02 2 9 -1 122 522.622 9 ↓

Analogs

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Popular Name: BRD-K03362227-001-01-1 BRD-K03362227-001-01-1

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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) 4.75 7.44 -20.48 4 10 0 123 593.647 8 ↓

Analogs

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Popular Name: BRD-K64981148-001-01-0 BRD-K64981148-001-01-0

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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) 3.77 8.56 -18.66 3 9 0 111 564.605 9 ↓

Analogs

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Popular Name: BRD-K20585754-001-01-7 BRD-K20585754-001-01-7

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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) 3.40 5.88 -20 2 10 0 133 607.776 9 ↓
Hi High (pH 8-9.5) 3.40 6.08 -59.96 1 10 -1 135 606.768 9 ↓

Analogs

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Popular Name: BRD-K02512601-001-01-8 BRD-K02512601-001-01-8

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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) 5.61 14.15 -54.13 3 7 1 83 612.713 11 ↓
Hi High (pH 8-9.5) 5.61 12.18 -13.47 2 7 0 82 611.705 11 ↓

Analogs

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Popular Name: BRD-K77139493-001-01-1 BRD-K77139493-001-01-1

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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) 4.38 11.06 -49.96 4 8 1 95 531.677 8 ↓
Hi High (pH 8-9.5) 4.38 9.12 -13.51 3 8 0 94 530.669 8 ↓

Analogs

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Popular Name: BRD-K07457697-001-01-6 BRD-K07457697-001-01-6

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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) 4.98 13.02 -55.09 3 8 1 93 572.726 10 ↓
Hi High (pH 8-9.5) 4.98 11.03 -12.85 2 8 0 91 571.718 10 ↓

Analogs

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Popular Name: BRD-K62326373-001-01-6 BRD-K62326373-001-01-6

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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) 4.28 10.42 -65.49 3 10 1 119 610.753 9 ↓
Hi High (pH 8-9.5) 4.28 8.59 -20.15 2 10 0 118 609.745 9 ↓

Analogs

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Popular Name: BRD-K36732834-001-01-1 BRD-K36732834-001-01-1

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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) 2.64 10.11 -72.15 3 11 1 127 591.52 9 ↓
Mid Mid (pH 6-8) 2.64 7.93 -27.01 2 11 0 126 590.512 9 ↓

Analogs

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Popular Name: BRD-K58141791-001-01-9 BRD-K58141791-001-01-9

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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) 4.38 9.78 -30.79 4 11 0 132 589.693 8 ↓

Analogs

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Popular Name: BRD-K56024114-001-01-9 BRD-K56024114-001-01-9

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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) 1.98 3.64 -17.21 3 11 0 124 547.697 9 ↓
Mid Mid (pH 6-8) 1.98 5.91 -48.12 4 11 1 125 548.705 9 ↓

Parameters Provided:

ring.id = 471357
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 = 471357 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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