UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2S)-2-methyl-2-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]pentanoic (2S)-2-methyl-2-[(3-pyrrol-1-ylt…

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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) 0.78 8.64 -59.33 1 5 -1 74 305.379 6 ↓

Analogs

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Popular Name: (2R)-2-methyl-2-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]pentanoic (2R)-2-methyl-2-[(3-pyrrol-1-ylt…

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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) 0.78 8.64 -59.93 1 5 -1 74 305.379 6 ↓

Analogs

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Popular Name: 3-(2,5-dimethylpyrrol-1-yl)-N-ethyl-N-[2-(isopropylamino)-2-oxo-ethyl]thiophene-2-carboxamide 3-(2,5-dimethylpyrrol-1-yl)-N-et…

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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) 2.98 8.82 -20.19 1 5 0 54 347.484 6 ↓

Analogs

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Popular Name: N-(4-amino-4-oxo-butyl)-3-(2,5-dimethylpyrrol-1-yl)thiophene-2-carboxamide N-(4-amino-4-oxo-butyl)-3-(2,5-d…

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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 4.47 -16.8 3 5 0 77 305.403 6 ↓

Analogs

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Popular Name: 2-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]oxyacetic 2-[(3-pyrrol-1-ylthiophene-2-car…

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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) 0.84 6.95 -57.23 1 6 -1 83 265.27 5 ↓

Analogs

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Popular Name: N-[2-(2-hydroxyethoxy)ethyl]-3-pyrrol-1-yl-thiophene-2-carboxamide N-[2-(2-hydroxyethoxy)ethyl]-3-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) 0.90 2.47 -14.42 2 5 0 63 280.349 7 ↓

Analogs

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Popular Name: 5-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]pentanoic 5-[(3-pyrrol-1-ylthiophene-2-car…

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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) 1.93 7.77 -53.68 1 5 -1 74 291.352 7 ↓
Lo Low (pH 4.5-6) 1.93 5.79 -17.17 2 5 0 71 292.36 7 ↓

Analogs

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Popular Name: (4S)-4-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]pentanoic (4S)-4-[(3-pyrrol-1-ylthiophene-…

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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) 1.75 7.99 -48.54 1 5 -1 74 291.352 6 ↓
Lo Low (pH 4.5-6) 1.75 6.01 -13.4 2 5 0 71 292.36 6 ↓

Analogs

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Popular Name: (4R)-4-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]pentanoic (4R)-4-[(3-pyrrol-1-ylthiophene-…

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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) 1.75 7.99 -48.7 1 5 -1 74 291.352 6 ↓
Lo Low (pH 4.5-6) 1.75 6.01 -13.54 2 5 0 71 292.36 6 ↓

Analogs

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Popular Name: N-(2-ethoxyethyl)-3-pyrrol-1-yl-thiophene-2-carboxamide N-(2-ethoxyethyl)-3-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) 2.00 5.58 -11.18 1 4 0 43 264.35 6 ↓

Analogs

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Popular Name: 1-[[3-(2,5-dimethylpyrrol-1-yl)thiophene-2-carbonyl]amino]-3-methyl-urea 1-[[3-(2,5-dimethylpyrrol-1-yl)t…

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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) 1.49 4.4 -18.15 3 6 0 75 292.364 3 ↓

Analogs

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Popular Name: N-(2-amino-2-oxo-ethyl)-3-(2,5-dimethylpyrrol-1-yl)-N-methyl-thiophene-2-carboxamide N-(2-amino-2-oxo-ethyl)-3-(2,5-d…

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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) 1.06 4.97 -20.04 2 5 0 68 291.376 4 ↓

Analogs

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Popular Name: 3-(2,5-dimethylpyrrol-1-yl)-N-methoxy-N-methyl-thiophene-2-carboxamide 3-(2,5-dimethylpyrrol-1-yl)-N-me…

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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) 2.29 7.82 -11.91 0 4 0 34 264.35 3 ↓

Analogs

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Popular Name: N-(2-bromoallyl)-3-(2,5-dimethylpyrrol-1-yl)thiophene-2-carboxamide N-(2-bromoallyl)-3-(2,5-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) 3.19 8.05 -11.43 1 3 0 34 339.258 4 ↓

Analogs

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Popular Name: 3-(2,5-dimethylpyrrol-1-yl)-N-ethoxy-thiophene-2-carboxamide 3-(2,5-dimethylpyrrol-1-yl)-N-et…

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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) 2.42 7.96 -15.9 1 4 0 43 264.35 4 ↓
Hi High (pH 8-9.5) 2.48 6.53 -53.99 0 4 -1 50 263.342 4 ↓

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) 3.14 10.03 -12.43 0 4 0 48 325.817 5 ↓

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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) 3.14 10.29 -13.73 0 4 0 48 325.817 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) 2.78 9.63 -13.9 0 4 0 48 311.79 5 ↓

Parameters Provided:

ring.id = 15890
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 = 15890 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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