UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 6-(1H-imidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]nicotinamide 6-(1H-imidazol-1-yl)-N-[4-(trifl…

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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) 2.66 2.04 -11.94 1 6 0 69 348.284 5 ↓
Mid Mid (pH 6-8) 2.66 2.32 -43.2 2 6 1 70 349.292 5 ↓

Analogs

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Popular Name: N-(2,4-difluorophenyl)-6-(1H-imidazol-1-yl)nicotinamide N-(2,4-difluorophenyl)-6-(1H-imi…

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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) 1.94 2.04 -10.16 1 5 0 59 300.268 3 ↓
Mid Mid (pH 6-8) 1.94 2.31 -41.29 2 5 1 61 301.276 3 ↓

Analogs

25084866
25084866
25533728
25533728
25533733
25533733
25540195
25540195
25805193
25805193

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Popular Name: 6-(1H-imidazol-1-yl)-N-(3-methylphenyl)nicotinamide 6-(1H-imidazol-1-yl)-N-(3-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) 2.11 8.85 -12.05 1 5 0 60 278.315 3 ↓
Lo Low (pH 4.5-6) 2.11 9.4 -39.13 2 5 1 61 279.323 3 ↓

Analogs

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Popular Name: N-(3-chloro-2-methylphenyl)-6-(1H-imidazol-1-yl)nicotinamide N-(3-chloro-2-methylphenyl)-6-(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) 2.72 9.47 -11.18 1 5 0 60 312.76 3 ↓
Lo Low (pH 4.5-6) 2.72 10.02 -38.96 2 5 1 61 313.768 3 ↓

Analogs

26069489
26069489

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Popular Name: N-(4-fluorophenyl)-6-(1H-imidazol-1-yl)nicotinamide N-(4-fluorophenyl)-6-(1H-imidazo…

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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) 1.85 8.24 -12.67 1 5 0 60 282.278 3 ↓
Lo Low (pH 4.5-6) 1.85 8.79 -40.61 2 5 1 61 283.286 3 ↓

Analogs

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Popular Name: N-(2-dimethylaminoethyl)-6-imidazol-1-yl-N-phenyl-pyridine-3-carboxamide N-(2-dimethylaminoethyl)-6-imida…

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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) 1.96 10.9 -53.4 1 6 1 55 336.419 6 ↓
Hi High (pH 8-9.5) 1.96 8.39 -9.81 0 6 0 54 335.411 6 ↓

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) 1.62 6.98 -14.35 2 8 0 106 338.323 5 ↓
Hi High (pH 8-9.5) 1.62 7.98 -49.32 1 8 -1 109 337.315 5 ↓

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) 1.99 9.17 -12.22 1 7 0 86 322.324 5 ↓

Analogs

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Popular Name: N-(3-amino-3-oxo-propyl)-6-imidazol-1-yl-N-phenyl-pyridine-3-carboxamide N-(3-amino-3-oxo-propyl)-6-imida…

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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) 0.94 6.53 -14.76 2 7 0 94 335.367 6 ↓

Parameters Provided:

ring.id = 228514
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 = 228514 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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