UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2-fluorophenyl)BLAHol (2-fluorophenyl)BLAHol

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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) 4.10 6.38 -5.72 1 1 0 20 246.325 1 ↓

Analogs

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Popular Name: (2-fluorophenyl)BLAHol (2-fluorophenyl)BLAHol

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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) 4.10 7.69 -3.07 1 1 0 20 246.325 1 ↓

Analogs

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Popular Name: (2-fluorophenyl)BLAHamine (2-fluorophenyl)BLAHamine

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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) 4.14 6.89 -38.85 3 1 1 28 246.349 1 ↓
Hi High (pH 8-9.5) 4.14 6.63 -2.99 2 1 0 26 245.341 1 ↓

Analogs

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Popular Name: (2-fluorophenyl)BLAHamine (2-fluorophenyl)BLAHamine

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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) 4.14 7.89 -31.39 3 1 1 28 246.349 1 ↓
Hi High (pH 8-9.5) 4.14 7.96 -2.08 2 1 0 26 245.341 1 ↓

Analogs

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Popular Name: (2,5-dimethylphenyl)BLAHol (2,5-dimethylphenyl)BLAHol

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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) 4.81 7.65 -2.36 1 1 0 20 256.389 1 ↓

Analogs

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Popular Name: (2,5-dimethylphenyl)BLAHol (2,5-dimethylphenyl)BLAHol

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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) 4.81 8.92 -2.03 1 1 0 20 256.389 1 ↓

Analogs

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Popular Name: (2,5-dimethylphenyl)BLAHamine (2,5-dimethylphenyl)BLAHamine

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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) 4.85 7.86 -42.82 3 1 1 28 256.413 1 ↓

Analogs

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Popular Name: (2,5-dimethylphenyl)BLAHamine (2,5-dimethylphenyl)BLAHamine

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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) 4.85 9.06 -34.45 3 1 1 28 256.413 1 ↓

Analogs

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Popular Name: (3,4-dimethylphenyl)BLAHol (3,4-dimethylphenyl)BLAHol

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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) 4.81 7.52 -2.84 1 1 0 20 256.389 1 ↓

Analogs

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Popular Name: (3,4-dimethylphenyl)BLAHol (3,4-dimethylphenyl)BLAHol

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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) 4.81 8.81 -2.9 1 1 0 20 256.389 1 ↓

Analogs

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Popular Name: (3,4-dimethylphenyl)BLAHamine (3,4-dimethylphenyl)BLAHamine

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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) 4.85 8.06 -44.63 3 1 1 28 256.413 1 ↓

Analogs

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Popular Name: (3,4-dimethylphenyl)BLAHamine (3,4-dimethylphenyl)BLAHamine

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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) 4.85 9.06 -36.01 3 1 1 28 256.413 1 ↓

Analogs

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Popular Name: (2,3-dimethylphenyl)BLAHol (2,3-dimethylphenyl)BLAHol

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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) 4.79 7.53 -2.41 1 1 0 20 256.389 1 ↓

Analogs

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Popular Name: (2,3-dimethylphenyl)BLAHol (2,3-dimethylphenyl)BLAHol

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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) 4.79 8.78 -2.15 1 1 0 20 256.389 1 ↓

Analogs

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Popular Name: (2,3-dimethylphenyl)BLAHamine (2,3-dimethylphenyl)BLAHamine

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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 7.77 -43.05 3 1 1 28 256.413 1 ↓

Analogs

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Popular Name: (2,3-dimethylphenyl)BLAHamine (2,3-dimethylphenyl)BLAHamine

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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 8.91 -34.68 3 1 1 28 256.413 1 ↓

Analogs

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Popular Name: (2,3-difluorophenyl)BLAHol (2,3-difluorophenyl)BLAHol

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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 6.43 -8.53 1 1 0 20 264.315 1 ↓

Analogs

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Popular Name: (2,3-difluorophenyl)BLAHol (2,3-difluorophenyl)BLAHol

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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 7.76 -4.88 1 1 0 20 264.315 1 ↓

Analogs

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Popular Name: (2,3-difluorophenyl)BLAHamine (2,3-difluorophenyl)BLAHamine

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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) 4.26 6.95 -42.64 3 1 1 28 264.339 1 ↓
Hi High (pH 8-9.5) 4.26 6.69 -5.24 2 1 0 26 263.331 1 ↓

Analogs

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Popular Name: (2,3-difluorophenyl)BLAHamine (2,3-difluorophenyl)BLAHamine

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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) 4.26 7.95 -35.07 3 1 1 28 264.339 1 ↓
Hi High (pH 8-9.5) 4.26 8.01 -4.08 2 1 0 26 263.331 1 ↓

Parameters Provided:

ring.id = 31353
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 = 31353 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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