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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: 1-[(1S)-2-(4-fluorophenyl)-1-methyl-ethyl]-2,5-dimethyl-pyrrole-3-carboxylic 1-[(1S)-2-(4-fluorophenyl)-1-met…

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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) 3.19 10.42 -57.72 0 3 -1 45 274.315 4 ↓

Analogs

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Popular Name: 1-[(1R)-2-(4-fluorophenyl)-1-methyl-ethyl]-2,5-dimethyl-pyrrole-3-carboxylic 1-[(1R)-2-(4-fluorophenyl)-1-met…

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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) 3.19 10.46 -56.94 0 3 -1 45 274.315 4 ↓

Analogs

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Popular Name: 2-(1-phenethylpyrrol-2-yl)ethanamine 2-(1-phenethylpyrrol-2-yl)ethana…

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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) 1.95 7.25 -51.33 3 2 1 33 215.32 5 ↓

Analogs

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Popular Name: 2-(1-phenethylpyrrol-3-yl)ethanamine 2-(1-phenethylpyrrol-3-yl)ethana…

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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) 1.64 7.63 -42.65 3 2 1 33 215.32 5 ↓

Analogs

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Popular Name: 2-[1-[2-(2-methoxyphenyl)ethyl]pyrrol-2-yl]ethanamine 2-[1-[2-(2-methoxyphenyl)ethyl]p…

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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 6.61 -47.71 3 3 1 42 245.346 6 ↓

Analogs

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Popular Name: 2-[1-[2-(2-methoxyphenyl)ethyl]pyrrol-3-yl]ethanamine 2-[1-[2-(2-methoxyphenyl)ethyl]p…

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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) 1.64 6.99 -42.58 3 3 1 42 245.346 6 ↓

Analogs

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Popular Name: 2-[1-[2-(3-methoxyphenyl)ethyl]pyrrol-2-yl]ethanamine 2-[1-[2-(3-methoxyphenyl)ethyl]p…

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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) 1.98 6.55 -54.47 3 3 1 42 245.346 6 ↓

Analogs

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Popular Name: 2-[1-[2-(3-methoxyphenyl)ethyl]pyrrol-3-yl]ethanamine 2-[1-[2-(3-methoxyphenyl)ethyl]p…

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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) 1.67 6.93 -44.6 3 3 1 42 245.346 6 ↓

Analogs

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Popular Name: 2-[1-[2-(4-methoxyphenyl)ethyl]pyrrol-2-yl]ethanamine 2-[1-[2-(4-methoxyphenyl)ethyl]p…

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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) 2.00 6.55 -54.67 3 3 1 42 245.346 6 ↓

Analogs

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Popular Name: 2-[1-[2-(4-methoxyphenyl)ethyl]pyrrol-3-yl]ethanamine 2-[1-[2-(4-methoxyphenyl)ethyl]p…

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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) 1.69 6.93 -44.8 3 3 1 42 245.346 6 ↓

Analogs

11979967
11979967

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Popular Name: (1R)-1-phenyl-2-pyrrol-1-yl-ethanamine (1R)-1-phenyl-2-pyrrol-1-yl-etha…

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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) 0.04 6.18 -45.37 3 2 1 33 187.266 3 ↓

Analogs

11979960
11979960

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Popular Name: (1S)-1-phenyl-2-pyrrol-1-yl-ethanamine (1S)-1-phenyl-2-pyrrol-1-yl-etha…

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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) 0.04 6.21 -45.37 3 2 1 33 187.266 3 ↓

Analogs

40488294
40488294

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Popular Name: (2S)-2-(2-formyl-1H-pyrrol-1-yl)-3-phenylpropanoic acid (2S)-2-(2-formyl-1H-pyrrol-1-yl)…

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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 7.79 -55.56 0 4 -1 62 242.254 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-(2,5-dimethylpyrrol-1-yl)-1-phenyl-ethanamine (1R)-2-(2,5-dimethylpyrrol-1-yl)…

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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) 0.48 7.31 -43.99 3 2 1 33 215.32 3 ↓
Mid Mid (pH 6-8) 0.48 6.98 -4.33 2 2 0 31 214.312 3 ↓

Analogs

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Popular Name: (1S)-2-(2,5-dimethylpyrrol-1-yl)-1-phenyl-ethanamine (1S)-2-(2,5-dimethylpyrrol-1-yl)…

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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) 0.48 7.32 -43.93 3 2 1 33 215.32 3 ↓
Mid Mid (pH 6-8) 0.48 7 -5 2 2 0 31 214.312 3 ↓

Analogs

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Popular Name: 2,3,4-trimethyl-1-phenethyl-pyrrole 2,3,4-trimethyl-1-phenethyl-pyrrole

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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) 3.70 10.59 -4.13 0 1 0 5 213.324 3 ↓

Analogs

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Popular Name: 2,3,4-trimethyl-1-[2-(4-nitrophenyl)ethyl]pyrrole 2,3,4-trimethyl-1-[2-(4-nitrophe…

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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) 3.66 11.3 -9.34 0 4 0 51 258.321 4 ↓

Analogs

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Popular Name: 2,3,4-trimethyl-1-[2-(2-nitrophenyl)ethyl]pyrrole 2,3,4-trimethyl-1-[2-(2-nitrophe…

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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) 3.61 11 -9.93 0 4 0 51 258.321 4 ↓

Analogs

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Popular Name: N-[2-(tert-butylamino)-2-oxo-ethyl]-N-methyl-1-phenethyl-pyrrole-2-carboxamide N-[2-(tert-butylamino)-2-oxo-eth…

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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) 3.19 9.55 -15.43 1 5 0 54 341.455 7 ↓

Analogs

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Popular Name: 2-(methanesulfonamido)ethyl 2-(methanesulfonamido)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) 1.96 6.31 -16.31 1 6 0 77 336.413 9 ↓

Analogs

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Popular Name: (2R)-2-chloro-1-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]propan-1-one (2R)-2-chloro-1-[1-[2-(4-fluorop…

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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) 3.75 11.45 -7.86 0 2 0 22 307.796 5 ↓

Analogs

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Popular Name: (2S)-2-chloro-1-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]propan-1-one (2S)-2-chloro-1-[1-[2-(4-fluorop…

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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) 3.75 11.71 -9.73 0 2 0 22 307.796 5 ↓

Analogs

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Popular Name: 2-chloro-1-[1-[2-(2-fluorophenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]ethanone 2-chloro-1-[1-[2-(2-fluorophenyl…

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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) 3.34 11.02 -8.6 0 2 0 22 293.769 5 ↓

Analogs

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Popular Name: 2-chloro-1-[1-[2-(2,4-dichlorophenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]ethanone 2-chloro-1-[1-[2-(2,4-dichloroph…

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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) 4.51 11.82 -8.2 0 2 0 22 344.669 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-chloro-1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)propan-1-one (2R)-2-chloro-1-(2,5-dimethyl-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) 3.59 11.38 -6.36 0 2 0 22 289.806 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-chloro-1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)propan-1-one (2S)-2-chloro-1-(2,5-dimethyl-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) 3.59 11.64 -8.23 0 2 0 22 289.806 5 ↓

Analogs

22124026
22124026

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Popular Name: 4-[2-(3-formyl-2,5-dimethyl-pyrrol-1-yl)ethyl]benzenesulfonamide 4-[2-(3-formyl-2,5-dimethyl-pyrr…

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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) 1.58 4.48 -19.85 2 5 0 82 306.387 5 ↓

Parameters Provided:

ring.id = 18015
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 18015 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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