UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: [4-[(2-chlorophenyl)methoxy]phenyl]-nitro-BLAH [4-[(2-chlorophenyl)methoxy]phen…

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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) 7.02 15.29 -8.87 1 5 0 67 460.961 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(2-chlorophenyl)methoxy]phenyl]-nitro-BLAH [4-[(2-chlorophenyl)methoxy]phen…

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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) 7.02 15.26 -11.76 1 5 0 67 460.961 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(2-chlorophenyl)methoxy]phenyl]-nitro-BLAH [4-[(2-chlorophenyl)methoxy]phen…

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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) 7.02 15.41 -9.56 1 5 0 67 460.961 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(2-chlorophenyl)methoxy]phenyl]-nitro-BLAH [4-[(2-chlorophenyl)methoxy]phen…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 7.02 15.16 -9.22 1 5 0 67 460.961 5 ↓

Analogs

4168375
4168375
4168376
4168376
4168377
4168377
13471424
13471424
13471427
13471427

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Popular Name: phenyl-N-(tetrahydrofuran-2-ylmethyl)BLAHcarboxamide phenyl-N-(tetrahydrofuran-2-ylme…

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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) 4.35 -2.7 -9.21 2 4 0 50 402.538 4 ↓

Analogs

4168376
4168376
4168377
4168377
13471424
13471424
13471427
13471427
4168373
4168373

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Popular Name: phenyl-N-(tetrahydrofuran-2-ylmethyl)BLAHcarboxamide phenyl-N-(tetrahydrofuran-2-ylme…

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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) 4.35 -2.72 -11.34 2 4 0 50 402.538 4 ↓

Analogs

4168377
4168377
13471424
13471424
13471427
13471427
4168373
4168373

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Popular Name: phenyl-N-(tetrahydrofuran-2-ylmethyl)BLAHcarboxamide phenyl-N-(tetrahydrofuran-2-ylme…

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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) 4.35 -3.33 -9.83 2 4 0 50 402.538 4 ↓

Analogs

13471424
13471424
13471427
13471427
4168373
4168373

Draw Identity 99% 90% 80% 70%

Popular Name: phenyl-N-(tetrahydrofuran-2-ylmethyl)BLAHcarboxamide phenyl-N-(tetrahydrofuran-2-ylme…

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Activity (Go SEA)

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) 4.35 -3.21 -9.57 2 4 0 50 402.538 4 ↓

Analogs

4168381
4168381
4168384
4168384
4168388
4168388
8643067
8643067

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Popular Name: phenyl-N-(3-pyridyl)BLAHcarboxamide phenyl-N-(3-pyridyl)BLAHcarboxamide

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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) 4.60 -0.99 -9.58 2 4 0 54 395.506 3 ↓

Analogs

4168384
4168384
4168388
4168388
8643067
8643067
4168379
4168379

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Popular Name: phenyl-N-(3-pyridyl)BLAHcarboxamide phenyl-N-(3-pyridyl)BLAHcarboxamide

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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) 4.60 -1.08 -11.44 2 4 0 54 395.506 3 ↓

Analogs

4168388
4168388
8643067
8643067
4168379
4168379
4168381
4168381

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Popular Name: phenyl-N-(3-pyridyl)BLAHcarboxamide phenyl-N-(3-pyridyl)BLAHcarboxamide

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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) 4.60 -1.63 -10.01 2 4 0 54 395.506 3 ↓

Analogs

8643067
8643067
4168379
4168379
4168381
4168381

Draw Identity 99% 90% 80% 70%

Popular Name: phenyl-N-(3-pyridyl)BLAHcarboxamide phenyl-N-(3-pyridyl)BLAHcarboxamide

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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) 4.60 -1.6 -10.12 2 4 0 54 395.506 3 ↓

Parameters Provided:

ring.id = 134760
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 = 134760 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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