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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2R)-2-methyl-N-phenyl-piperidine-1-carboxamidine (2R)-2-methyl-N-phenyl-piperidin…

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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) -1.59 8.49 -25.27 3 3 1 41 218.324 2 ↓
Mid Mid (pH 6-8) 2.60 9.34 -4.85 2 3 0 42 217.316 2 ↓

Analogs

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Popular Name: (3R)-3-methyl-N-phenyl-piperidine-1-carboxamidine (3R)-3-methyl-N-phenyl-piperidin…

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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) -1.71 9.03 -25.34 3 3 1 41 218.324 2 ↓
Mid Mid (pH 6-8) 2.51 8.67 -5.77 2 3 0 42 217.316 2 ↓

Analogs

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Popular Name: (3S)-3-methyl-N-phenyl-piperidine-1-carboxamidine (3S)-3-methyl-N-phenyl-piperidin…

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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) -1.71 9.03 -25.32 3 3 1 41 218.324 2 ↓
Mid Mid (pH 6-8) 2.51 8.66 -5.51 2 3 0 42 217.316 2 ↓

Analogs

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Popular Name: (3S)-3-ethyl-N-phenyl-piperidine-1-carboxamidine (3S)-3-ethyl-N-phenyl-piperidine…

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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) -1.21 9.66 -25.71 3 3 1 41 232.351 3 ↓
Mid Mid (pH 6-8) 3.01 9.29 -5.39 2 3 0 42 231.343 3 ↓

Analogs

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Popular Name: (3R)-N-phenyl-3-propoxy-piperidine-1-carboxamidine (3R)-N-phenyl-3-propoxy-piperidi…

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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) -1.61 9.27 -27.11 3 4 1 50 262.377 5 ↓
Mid Mid (pH 6-8) 2.61 8.82 -6.57 2 4 0 51 261.369 5 ↓

Analogs

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Popular Name: (3S)-N-phenyl-3-propoxy-piperidine-1-carboxamidine (3S)-N-phenyl-3-propoxy-piperidi…

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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) -1.61 9.17 -26.67 3 4 1 50 262.377 5 ↓
Mid Mid (pH 6-8) 2.61 8.82 -5.26 2 4 0 51 261.369 5 ↓

Analogs

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Popular Name: (3S)-3-ethoxy-N-phenyl-piperidine-1-carboxamidine (3S)-3-ethoxy-N-phenyl-piperidin…

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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 8.38 -26.67 3 4 1 50 248.35 4 ↓
Mid Mid (pH 6-8) 2.11 8.03 -5.46 2 4 0 51 247.342 4 ↓

Analogs

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Popular Name: (3S,6R)-6-methyl-1-(N-phenylcarbamimidoyl)piperidine-3-carboxamide (3S,6R)-6-methyl-1-(N-phenylcarb…

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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) -2.99 5.67 -30.26 5 5 1 84 261.349 3 ↓
Mid Mid (pH 6-8) 1.20 5.24 -10.72 4 5 0 85 260.341 3 ↓

Analogs

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Popular Name: (2R,3R)-2,3-dimethyl-N-phenyl-piperidine-1-carboxamidine (2R,3R)-2,3-dimethyl-N-phenyl-pi…

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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) -1.35 9.52 -24.87 3 3 1 41 232.351 2 ↓
Mid Mid (pH 6-8) 2.84 9.09 -5.92 2 3 0 42 231.343 2 ↓

Analogs

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Popular Name: (2R,3S)-2,3-dimethyl-N-phenyl-piperidine-1-carboxamidine (2R,3S)-2,3-dimethyl-N-phenyl-pi…

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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) -1.35 8.86 -24.88 3 3 1 41 232.351 2 ↓
Mid Mid (pH 6-8) 2.84 9.76 -4.77 2 3 0 42 231.343 2 ↓

Analogs

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Popular Name: (2R,4R)-2,4-dimethyl-N-phenyl-piperidine-1-carboxamidine (2R,4R)-2,4-dimethyl-N-phenyl-pi…

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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) -1.35 8.98 -25.23 3 3 1 41 232.351 2 ↓
Mid Mid (pH 6-8) 2.84 9.89 -4.77 2 3 0 42 231.343 2 ↓

Analogs

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Popular Name: (2R,4S)-2,4-dimethyl-N-phenyl-piperidine-1-carboxamidine (2R,4S)-2,4-dimethyl-N-phenyl-pi…

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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) -1.35 9.57 -24.85 3 3 1 41 232.351 2 ↓
Mid Mid (pH 6-8) 2.84 9.21 -5.78 2 3 0 42 231.343 2 ↓

Analogs

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Popular Name: N-(2-fluorophenyl)piperidine-1-carboximidothioic N-(2-fluorophenyl)piperidine-1-c…

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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) -0.93 8.11 -8.03 1 2 0 15 238.331 2 ↓

Parameters Provided:

ring.id = 21502
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 = 21502 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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