UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

31962619
31962619
36988706
36988706
36988707
36988707
36988753
36988753
36988754
36988754

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Popular Name: N-(6-dimethylamino-3-pyridyl)cyclopropanecarboxamide N-(6-dimethylamino-3-pyridyl)cyc…

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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) 1.36 4.91 -11.15 1 4 0 45 205.261 3 ↓

Analogs

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Popular Name: 5-(cyclopropanecarbonylamino)pyridine-3-carboxylic 5-(cyclopropanecarbonylamino)pyr…

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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) 0.47 3.76 -56.88 1 5 -1 82 205.193 3 ↓

Analogs

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Popular Name: 5-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]pyridine-3-carboxylic 5-[[(1S,2R)-2-methylcyclopropane…

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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) 1.08 4.48 -56.91 1 5 -1 82 219.22 3 ↓

Analogs

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Popular Name: 5-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]pyridine-3-carboxylic 5-[[(1S,2S)-2-methylcyclopropane…

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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) 1.08 4.43 -57.26 1 5 -1 82 219.22 3 ↓

Analogs

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Popular Name: 5-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]pyridine-3-carboxylic 5-[[(1R,2R)-2-methylcyclopropane…

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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) 1.08 4.43 -57.24 1 5 -1 82 219.22 3 ↓

Analogs

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Popular Name: 5-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]pyridine-3-carboxylic 5-[[(1R,2S)-2-methylcyclopropane…

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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) 1.08 4.48 -56.8 1 5 -1 82 219.22 3 ↓

Analogs

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Popular Name: (1S,3R)-N-(6-methoxy-3-pyridyl)-N,2,2-trimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxamide (1S,3R)-N-(6-methoxy-3-pyridyl)-…

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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) 4.03 6.99 -8.83 0 4 0 42 288.391 4 ↓

Analogs

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Popular Name: (1S,3S)-N-(6-methoxy-3-pyridyl)-N,2,2-trimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxamide (1S,3S)-N-(6-methoxy-3-pyridyl)-…

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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) 4.03 7.11 -7.9 0 4 0 42 288.391 4 ↓

Analogs

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Popular Name: (1R,3R)-N-(6-methoxy-3-pyridyl)-N,2,2-trimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxamide (1R,3R)-N-(6-methoxy-3-pyridyl)-…

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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) 4.03 7.11 -8.1 0 4 0 42 288.391 4 ↓

Analogs

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Popular Name: (1R,3S)-N-(6-methoxy-3-pyridyl)-N,2,2-trimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxamide (1R,3S)-N-(6-methoxy-3-pyridyl)-…

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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) 4.03 6.98 -9.1 0 4 0 42 288.391 4 ↓

Analogs

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Popular Name: (1S,2R)-2-[methyl(3-pyridyl)carbamoyl]cyclopropanecarboxylic (1S,2R)-2-[methyl(3-pyridyl)carb…

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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) 0.64 5.52 -53.26 0 5 -1 73 219.22 3 ↓
Lo Low (pH 4.5-6) 0.64 3.89 -16.51 1 5 0 71 220.228 3 ↓

Analogs

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Popular Name: (1S,2S)-2-[methyl(3-pyridyl)carbamoyl]cyclopropanecarboxylic (1S,2S)-2-[methyl(3-pyridyl)carb…

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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) 0.64 5.51 -51.44 0 5 -1 73 219.22 3 ↓
Lo Low (pH 4.5-6) 0.64 3.53 -12.89 1 5 0 71 220.228 3 ↓

Analogs

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Popular Name: (1R,2R)-2-[methyl(3-pyridyl)carbamoyl]cyclopropanecarboxylic (1R,2R)-2-[methyl(3-pyridyl)carb…

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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) 0.64 5.52 -50.63 0 5 -1 73 219.22 3 ↓
Lo Low (pH 4.5-6) 0.64 3.52 -12.43 1 5 0 71 220.228 3 ↓

Analogs

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Popular Name: (1R,2S)-2-[methyl(3-pyridyl)carbamoyl]cyclopropanecarboxylic (1R,2S)-2-[methyl(3-pyridyl)carb…

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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) 0.64 5.43 -60.92 0 5 -1 73 219.22 3 ↓
Lo Low (pH 4.5-6) 0.64 4.06 -17.69 1 5 0 71 220.228 3 ↓

Analogs

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Popular Name: 1-[methyl(3-pyridyl)carbamoyl]cyclopropanecarboxylic 1-[methyl(3-pyridyl)carbamoyl]cy…

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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) -0.02 4.83 -45.09 0 5 -1 73 219.22 3 ↓
Lo Low (pH 4.5-6) -0.02 2.91 -12.51 1 5 0 71 220.228 3 ↓

Analogs

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Popular Name: (1R)-2,2-dichloro-N-[2-(dimethylamino)-3-pyridyl]-1-methyl-cyclopropanecarboxamide (1R)-2,2-dichloro-N-[2-(dimethyl…

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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) 2.09 6.64 -9 1 4 0 45 288.178 3 ↓
Mid Mid (pH 6-8) 2.09 7.12 -32.63 2 4 1 46 289.186 3 ↓

Analogs

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Popular Name: (1S)-2,2-dichloro-N-[2-(dimethylamino)-3-pyridyl]-1-methyl-cyclopropanecarboxamide (1S)-2,2-dichloro-N-[2-(dimethyl…

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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) 2.09 6.57 -9.18 1 4 0 45 288.178 3 ↓
Mid Mid (pH 6-8) 2.09 7.04 -33.1 2 4 1 46 289.186 3 ↓

Analogs

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Popular Name: (1R,2S)-N-(6-ethylsulfanyl-3-pyridyl)-2-methyl-cyclopropanecarboxamide (1R,2S)-N-(6-ethylsulfanyl-3-pyr…

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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) 2.84 5.95 -7.76 1 3 0 42 236.34 4 ↓

Analogs

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Popular Name: (1S,2S)-N-(6-ethylsulfanyl-3-pyridyl)-2-methyl-cyclopropanecarboxamide (1S,2S)-N-(6-ethylsulfanyl-3-pyr…

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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) 2.84 5.92 -8.22 1 3 0 42 236.34 4 ↓

Analogs

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Popular Name: (1R,2R)-N-(6-ethylsulfanyl-3-pyridyl)-2-methyl-cyclopropanecarboxamide (1R,2R)-N-(6-ethylsulfanyl-3-pyr…

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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) 2.84 5.91 -8.29 1 3 0 42 236.34 4 ↓

Analogs

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Popular Name: (1S,2R)-N-(6-ethylsulfanyl-3-pyridyl)-2-methyl-cyclopropanecarboxamide (1S,2R)-N-(6-ethylsulfanyl-3-pyr…

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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) 2.84 5.95 -7.69 1 3 0 42 236.34 4 ↓

Analogs

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Popular Name: N-(6-ethylsulfanyl-3-pyridyl)cyclopropanecarboxamide N-(6-ethylsulfanyl-3-pyridyl)cyc…

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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) 2.23 5.24 -8.4 1 3 0 42 222.313 4 ↓

Parameters Provided:

ring.id = 72377
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 = 72377 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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