UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: methyl 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) 2.64 6.5 -18.14 1 8 0 89 397.431 6 ↓

Analogs

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Popular Name: N-[3-[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]pyridine-4-carboxamide N-[3-[6-(3,4-dimethoxyphenyl)-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) 2.51 8.52 -25.18 1 8 0 93 444.491 6 ↓

Analogs

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Popular Name: N-[4-[2-[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-2-oxo-ethyl]phenyl]pyridine-4-carbox N-[4-[2-[6-(3,4-dimethoxyphenyl)…

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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) 2.62 9.42 -19.98 1 8 0 93 458.518 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) 3.33 8.33 -17.86 1 8 0 89 425.485 8 ↓

Analogs

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Popular Name: N-[3-[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]acetamide N-[3-[6-(3,4-dimethoxyphenyl)-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) 2.12 7.25 -24.58 1 7 0 80 381.432 5 ↓

Analogs

13644723
13644723

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Popular Name: N-[4-[6-(3-ethoxy-4-methoxy-phenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]acetamide N-[4-[6-(3-ethoxy-4-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) 2.52 8.09 -20.91 1 7 0 80 395.459 6 ↓

Analogs

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Popular Name: N-[4-[6-(1,3-benzodioxol-5-yl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]acetamide N-[4-[6-(1,3-benzodioxol-5-yl)-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) 2.39 6.78 -20.13 1 7 0 80 365.389 3 ↓

Analogs

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Popular Name: N-[4-[6-[3-(cyclopentoxy)-4-methoxy-phenyl]-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]acetamide N-[4-[6-[3-(cyclopentoxy)-4-meth…

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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) 3.55 10.02 -20.12 1 7 0 80 435.524 6 ↓

Analogs

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Popular Name: N-[4-[6-[4-methoxy-3-(trifluoromethoxy)phenyl]-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]acetamide N-[4-[6-[4-methoxy-3-(trifluorom…

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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) 3.06 7.49 -20.69 1 7 0 80 435.402 6 ↓

Analogs

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Popular Name: (E)-phenyl-[(3S)-2,3,6-triphenyl-4,5-dihydropyridazin-3-yl]diazene (E)-phenyl-[(3S)-2,3,6-triphenyl…

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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) 7.43 12.89 -28.11 1 4 1 42 417.536 5 ↓

Analogs

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Popular Name: N-[4-[[6-(3-methoxy-4-methylsulfonyl-phenyl)-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]furan-2-car N-[4-[[6-(3-methoxy-4-methylsulf…

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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) 3.09 7.36 -21.41 1 8 0 101 467.547 7 ↓

Analogs

9969673
9969673
9969674
9969674

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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) 7.74 16.25 -10.96 0 6 0 58 498.652 7 ↓

Analogs

9969673
9969673
9969674
9969674

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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) 7.74 16.26 -10.89 0 6 0 58 498.652 7 ↓

Analogs

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Popular Name: 1-[(5R)-4-(3-chloro-2-methyl-phenyl)-8-(4-ethylphenyl)-6-phenyl-1-thia-3,4,6,7-tetrazaspiro[4.5]deca 1-[(5R)-4-(3-chloro-2-methyl-phe…

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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) 7.48 16.01 -10.68 0 5 0 48 503.071 5 ↓

Parameters Provided:

ring.id = 13927
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 = 13927 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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