UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

13127627
13127627

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Popular Name: BRD-A88129219-001-01-4 BRD-A88129219-001-01-4

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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) 3.56 8.63 -13.42 1 4 0 43 298.349 1 ↓
Mid Mid (pH 6-8) 3.74 9.25 -26.1 2 4 1 48 299.357 1 ↓
Lo Low (pH 4.5-6) 3.56 9.07 -27.58 2 4 1 44 299.357 1 ↓

Analogs

13127626
13127626

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Popular Name: BRD-A88129219-001-01-4 BRD-A88129219-001-01-4

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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) 3.56 8.62 -13.49 1 4 0 43 298.349 1 ↓
Mid Mid (pH 6-8) 3.74 9.25 -26.15 2 4 1 48 299.357 1 ↓
Lo Low (pH 4.5-6) 3.56 9.05 -27.61 2 4 1 44 299.357 1 ↓

Analogs

13127639
13127639
6315841
6315841
6315843
6315843

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Popular Name: 6-(2-pyridinyl)-5,6-dihydrobenzimidazo[1,2-c]quinazoline 6-(2-pyridinyl)-5,6-dihydrobenzi…

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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) 3.68 8.89 -15.36 1 4 0 43 298.349 1 ↓
Mid Mid (pH 6-8) 3.86 9.64 -81.72 3 4 2 49 300.365 1 ↓
Lo Low (pH 4.5-6) 3.68 9.33 -24.72 2 4 1 44 299.357 1 ↓

Analogs

6315841
6315841
6315843
6315843
13127638
13127638

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Popular Name: 6-(2-pyridinyl)-5,6-dihydrobenzimidazo[1,2-c]quinazoline 6-(2-pyridinyl)-5,6-dihydrobenzi…

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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) 3.68 9.09 -13.75 1 4 0 43 298.349 1 ↓
Mid Mid (pH 6-8) 3.86 9.63 -81.75 3 4 2 49 300.365 1 ↓
Lo Low (pH 4.5-6) 3.68 9.53 -23.44 2 4 1 44 299.357 1 ↓

Analogs

539169
539169

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Popular Name: BRD-A62556510-001-01-4 BRD-A62556510-001-01-4

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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) 4.58 8.56 -11.74 1 3 0 30 263.344 1 ↓

Analogs

539168
539168

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Popular Name: BRD-A62556510-001-01-4 BRD-A62556510-001-01-4

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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) 4.58 8.61 -11.75 1 3 0 30 263.344 1 ↓

Analogs

539916
539916

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Popular Name: (6S)-5-ethyl-6-(3-pyridyl)-6H-benzimidazolo[1,2-c]quinazoline (6S)-5-ethyl-6-(3-pyridyl)-6H-be…

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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) 4.24 11 -14.24 0 4 0 34 326.403 2 ↓
Lo Low (pH 4.5-6) 4.24 11.44 -26.23 1 4 1 35 327.411 2 ↓

Analogs

539914
539914

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Popular Name: (6R)-5-ethyl-6-(3-pyridyl)-6H-benzimidazolo[1,2-c]quinazoline (6R)-5-ethyl-6-(3-pyridyl)-6H-be…

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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) 4.24 11.12 -14.63 0 4 0 34 326.403 2 ↓
Lo Low (pH 4.5-6) 4.24 11.56 -26.02 1 4 1 35 327.411 2 ↓

Analogs

540255
540255

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Popular Name: (6S)-6-(3-thienyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline (6S)-6-(3-thienyl)-5,6-dihydrobe…

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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) 4.44 9.36 -11.39 1 3 0 30 303.39 1 ↓

Analogs

540254
540254

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Popular Name: (6R)-6-(3-thienyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline (6R)-6-(3-thienyl)-5,6-dihydrobe…

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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) 4.44 9.36 -11.42 1 3 0 30 303.39 1 ↓

Analogs

541189
541189
17382137
17382137
17382139
17382139

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Popular Name: (6S)-5-ethyl-6-(5-methyl-2-furyl)-6H-benzimidazolo[1,2-c]quinazoline (6S)-5-ethyl-6-(5-methyl-2-furyl…

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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) 4.95 -0.64 -12.91 0 4 0 34 329.403 2 ↓

Analogs

17382137
17382137
17382139
17382139
541187
541187

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Popular Name: (6R)-5-ethyl-6-(5-methyl-2-furyl)-6H-benzimidazolo[1,2-c]quinazoline (6R)-5-ethyl-6-(5-methyl-2-furyl…

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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) 4.95 -0.65 -13.45 0 4 0 34 329.403 2 ↓

Analogs

541252
541252

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Popular Name: (6R)-6-(4-fluorophenyl)-6-methyl-5H-benzimidazolo[1,2-c]quinazoline (6R)-6-(4-fluorophenyl)-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) 5.46 10.93 -12.33 1 3 0 30 329.378 1 ↓

Analogs

541251
541251

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Popular Name: (6S)-6-(4-fluorophenyl)-6-methyl-5H-benzimidazolo[1,2-c]quinazoline (6S)-6-(4-fluorophenyl)-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) 5.46 10.94 -12.28 1 3 0 30 329.378 1 ↓

Analogs

541319
541319

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Popular Name: (6S)-5-ethyl-6-(2-pyridyl)-6H-benzimidazolo[1,2-c]quinazoline (6S)-5-ethyl-6-(2-pyridyl)-6H-be…

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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) 4.30 11.52 -13.53 0 4 0 34 326.403 2 ↓
Lo Low (pH 4.5-6) 4.30 11.76 -22.31 1 4 1 35 327.411 2 ↓

Analogs

541317
541317

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Popular Name: (6R)-5-ethyl-6-(2-pyridyl)-6H-benzimidazolo[1,2-c]quinazoline (6R)-5-ethyl-6-(2-pyridyl)-6H-be…

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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) 4.30 11.62 -13.93 0 4 0 34 326.403 2 ↓
Lo Low (pH 4.5-6) 4.30 11.86 -23.58 1 4 1 35 327.411 2 ↓

Analogs

542026
542026

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Popular Name: (6S)-5-ethyl-6-(4-pyridyl)-6H-benzimidazolo[1,2-c]quinazoline (6S)-5-ethyl-6-(4-pyridyl)-6H-be…

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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) 4.18 11.05 -12.74 0 4 0 34 326.403 2 ↓
Lo Low (pH 4.5-6) 4.18 11.49 -26.36 1 4 1 35 327.411 2 ↓

Analogs

542024
542024

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Popular Name: (6R)-5-ethyl-6-(4-pyridyl)-6H-benzimidazolo[1,2-c]quinazoline (6R)-5-ethyl-6-(4-pyridyl)-6H-be…

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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) 4.18 -1.98 -12.85 0 4 0 33 326.403 2 ↓
Mid Mid (pH 6-8) 4.18 -1.81 -26.58 1 4 1 35 327.411 2 ↓

Analogs

542689
542689
2436760
2436760
2436763
2436763

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Popular Name: BRD-A97198177-001-01-8 BRD-A97198177-001-01-8

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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) 5.30 10.86 -12.1 1 3 0 30 311.388 1 ↓

Analogs

2436760
2436760
2436763
2436763
542688
542688

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Popular Name: BRD-A97198177-001-01-8 BRD-A97198177-001-01-8

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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) 5.30 10.87 -12.1 1 3 0 30 311.388 1 ↓

Analogs

1307205
1307205

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Popular Name: 2-(ethylBLAHyl)-4-nitro-phenol 2-(ethylBLAHyl)-4-nitro-phenol

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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) 5.35 9.48 -39.09 0 7 -1 90 385.403 3 ↓

Parameters Provided:

ring.id = 101878
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 = 101878 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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