UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: [5-(3-hydroxyprop-1-ynyl)-2-thienyl]-[(2R)-2-methylindolin-1-yl]methanone [5-(3-hydroxyprop-1-ynyl)-2-thie…

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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) 3.10 6.66 -13.21 1 3 0 41 297.379 1 ↓

Analogs

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Popular Name: [5-(3-hydroxyprop-1-ynyl)-2-thienyl]-[(2S)-2-methylindolin-1-yl]methanone [5-(3-hydroxyprop-1-ynyl)-2-thie…

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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) 3.10 6.75 -13.15 1 3 0 41 297.379 1 ↓

Analogs

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Popular Name: [5-(3-hydroxyprop-1-ynyl)-2-thienyl]-indolin-1-yl-methanone [5-(3-hydroxyprop-1-ynyl)-2-thie…

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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) 2.77 6.4 -13.41 1 3 0 41 283.352 1 ↓

Analogs

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Popular Name: [5-(4-hydroxybut-1-ynyl)-2-thienyl]-indolin-1-yl-methanone [5-(4-hydroxybut-1-ynyl)-2-thien…

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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) 3.04 7.17 -11.55 1 3 0 41 297.379 2 ↓

Analogs

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Popular Name: [(2R)-5-amino-2-methyl-indolin-1-yl]-(5-chloro-2-thienyl)methanone [(2R)-5-amino-2-methyl-indolin-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) 3.15 6.17 -10.31 2 3 0 46 292.791 1 ↓

Analogs

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Popular Name: [(2S)-5-amino-2-methyl-indolin-1-yl]-(5-chloro-2-thienyl)methanone [(2S)-5-amino-2-methyl-indolin-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) 3.15 6.24 -10.05 2 3 0 46 292.791 1 ↓

Analogs

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Popular Name: (6-nitroindolin-1-yl)-(2-thienyl)methanone (6-nitroindolin-1-yl)-(2-thienyl…

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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) 2.90 8.09 -19.32 0 5 0 66 274.301 2 ↓

Analogs

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Popular Name: N,N-diethyl-1-(5-ethylthiophene-2-carbonyl)indoline-5-sulfonamide N,N-diethyl-1-(5-ethylthiophene-…

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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) 3.80 8.69 -15.4 0 5 0 58 392.546 6 ↓

Analogs

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Popular Name: N-[5-(indoline-1-carbonyl)-2-thienyl]acetamide N-[5-(indoline-1-carbonyl)-2-thi…

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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) 2.31 6.48 -15.16 1 4 0 49 286.356 2 ↓

Analogs

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Popular Name: (4-ethyl-5-methyl-2-thienyl)-[(2S)-2-methylindolin-1-yl]methanone (4-ethyl-5-methyl-2-thienyl)-[(2…

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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) 4.36 9.86 -11.98 0 2 0 20 285.412 2 ↓

Analogs

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Popular Name: (4-ethyl-5-methyl-2-thienyl)-[(2R)-2-methylindolin-1-yl]methanone (4-ethyl-5-methyl-2-thienyl)-[(2…

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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) 4.36 9.81 -12.13 0 2 0 20 285.412 2 ↓

Analogs

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Popular Name: (2S)-1-(5-chlorothiophene-2-carbonyl)indoline-2-carboxamide (2S)-1-(5-chlorothiophene-2-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) 3.05 4.68 -17.99 2 4 0 63 306.774 2 ↓

Analogs

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Popular Name: (2R)-1-(3-ethylthiophene-2-carbonyl)indoline-2-carboxylic (2R)-1-(3-ethylthiophene-2-carbo…

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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 9.46 -49.68 0 4 -1 60 300.359 3 ↓

Analogs

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Popular Name: (2S)-1-(3-ethylthiophene-2-carbonyl)indoline-2-carboxylic (2S)-1-(3-ethylthiophene-2-carbo…

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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 9.41 -48.13 0 4 -1 60 300.359 3 ↓

Analogs

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Popular Name: 1-(3-ethylthiophene-2-carbonyl)indoline-5-carboxylic 1-(3-ethylthiophene-2-carbonyl)i…

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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) 3.69 9.38 -55.46 0 4 -1 60 300.359 3 ↓

Analogs

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Popular Name: (5-bromoindolin-1-yl)-(4,5-dimethyl-2-thienyl)methanone (5-bromoindolin-1-yl)-(4,5-dimet…

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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) 4.35 9.43 -10.08 0 2 0 20 336.254 1 ↓

Analogs

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Popular Name: (5-bromoindolin-1-yl)-(5-ethyl-4-methyl-2-thienyl)methanone (5-bromoindolin-1-yl)-(5-ethyl-4…

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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) 4.92 10.19 -9.63 0 2 0 20 350.281 2 ↓

Analogs

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Popular Name: (5-bromoindolin-1-yl)-(3-ethyl-2-thienyl)methanone (5-bromoindolin-1-yl)-(3-ethyl-2…

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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) 4.59 9.43 -8.98 0 2 0 20 336.254 2 ↓

Analogs

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Popular Name: 1-[5-(5-bromoindoline-1-carbonyl)-2-thienyl]ethanone 1-[5-(5-bromoindoline-1-carbonyl…

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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) 3.89 8.72 -12.25 0 3 0 37 350.237 2 ↓

Analogs

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Popular Name: (5-bromoindolin-1-yl)-(4-ethyl-5-methyl-2-thienyl)methanone (5-bromoindolin-1-yl)-(4-ethyl-5…

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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) 4.81 10.14 -10.05 0 2 0 20 350.281 2 ↓

Analogs

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Popular Name: (5-bromoindolin-1-yl)-(3-methyl-2-thienyl)methanone (5-bromoindolin-1-yl)-(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) 4.13 8.68 -9.35 0 2 0 20 322.227 1 ↓

Analogs

36980086
36980086
36980088
36980088

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Popular Name: (5-bromoindolin-1-yl)-(4,5-dibromo-2-thienyl)methanone (5-bromoindolin-1-yl)-(4,5-dibro…

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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) 5.42 9.34 -8.63 0 2 0 20 465.992 1 ↓

Analogs

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Popular Name: (5-bromoindolin-1-yl)-(5-methyl-2-thienyl)methanone (5-bromoindolin-1-yl)-(5-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) 3.97 8.83 -9.97 0 2 0 20 322.227 1 ↓

Analogs

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Popular Name: 1-(5-methylthiophene-2-carbonyl)indoline-5-carboxylic 1-(5-methylthiophene-2-carbonyl)…

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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) 3.07 8.76 -55.63 0 4 -1 60 286.332 2 ↓

Parameters Provided:

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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 = 7770 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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