UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[1-[[(2S)-tetrahydrofuran-2-yl]methyl]indol-3-yl]acetic 2-[1-[[(2S)-tetrahydrofuran-2-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) 1.96 8.81 -55.26 0 4 -1 54 258.297 4 ↓

Analogs

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Popular Name: 2-[1-[[(2R)-tetrahydrofuran-2-yl]methyl]indol-3-yl]acetic 2-[1-[[(2R)-tetrahydrofuran-2-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) 1.96 8.83 -53.71 0 4 -1 54 258.297 4 ↓

Analogs

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Popular Name: 1-[[(2S)-tetrahydrofuran-2-yl]methyl]indole-3-carboxylic 1-[[(2S)-tetrahydrofuran-2-yl]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) 2.10 8 -63.03 0 4 -1 54 244.27 3 ↓

Analogs

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Popular Name: 1-[[(2R)-tetrahydrofuran-2-yl]methyl]indole-3-carboxylic 1-[[(2R)-tetrahydrofuran-2-yl]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) 2.10 8.06 -59.58 0 4 -1 54 244.27 3 ↓

Analogs

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Popular Name: 3-[1-[[(2S)-tetrahydrofuran-2-yl]methyl]indol-3-yl]propanoic 3-[1-[[(2S)-tetrahydrofuran-2-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) 2.47 9.61 -53.03 0 4 -1 54 272.324 5 ↓

Analogs

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Popular Name: 3-[1-[[(2R)-tetrahydrofuran-2-yl]methyl]indol-3-yl]propanoic 3-[1-[[(2R)-tetrahydrofuran-2-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) 2.47 9.64 -51.66 0 4 -1 54 272.324 5 ↓

Analogs

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Popular Name: 1-[[(2S)-tetrahydrofuran-2-yl]methyl]indole-2-carboxylic 1-[[(2S)-tetrahydrofuran-2-yl]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) 2.41 8.43 -54.3 0 4 -1 54 244.27 3 ↓

Analogs

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Popular Name: 1-[[(2R)-tetrahydrofuran-2-yl]methyl]indole-2-carboxylic 1-[[(2R)-tetrahydrofuran-2-yl]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) 2.41 7.72 -49.74 0 4 -1 54 244.27 3 ↓

Analogs

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Popular Name: 2,3-dimethyl-1-[[(2S)-tetrahydrofuran-2-yl]methyl]indole-5-carboxylic 2,3-dimethyl-1-[[(2S)-tetrahydro…

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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) 3.09 9.05 -60.42 0 4 -1 54 272.324 3 ↓

Analogs

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Popular Name: 2,3-dimethyl-1-[[(2R)-tetrahydrofuran-2-yl]methyl]indole-5-carboxylic 2,3-dimethyl-1-[[(2R)-tetrahydro…

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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) 3.09 9.11 -57.03 0 4 -1 54 272.324 3 ↓

Analogs

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Popular Name: 4-[1-[[(2S)-tetrahydrofuran-2-yl]methyl]indol-3-yl]butanoic 4-[1-[[(2S)-tetrahydrofuran-2-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) 2.74 10.4 -52.21 0 4 -1 54 286.351 6 ↓
Lo Low (pH 4.5-6) 2.74 8.43 -11.42 1 4 0 51 287.359 6 ↓

Analogs

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Popular Name: 4-[1-[[(2R)-tetrahydrofuran-2-yl]methyl]indol-3-yl]butanoic 4-[1-[[(2R)-tetrahydrofuran-2-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) 2.74 10.42 -51.91 0 4 -1 54 286.351 6 ↓
Lo Low (pH 4.5-6) 2.74 8.45 -12.4 1 4 0 51 287.359 6 ↓

Analogs

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Popular Name: 1-[[(2S)-tetrahydrofuran-2-yl]methyl]indole-4-carboxylic 1-[[(2S)-tetrahydrofuran-2-yl]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) 2.13 7.9 -61.95 0 4 -1 54 244.27 3 ↓

Analogs

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Popular Name: 1-[[(2R)-tetrahydrofuran-2-yl]methyl]indole-4-carboxylic 1-[[(2R)-tetrahydrofuran-2-yl]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) 2.13 7.93 -61.55 0 4 -1 54 244.27 3 ↓

Analogs

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Popular Name: 2-[1-[[(2S)-tetrahydrofuran-2-yl]methyl]indol-3-yl]ethanamine 2-[1-[[(2S)-tetrahydrofuran-2-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) 1.51 6.29 -45.68 3 3 1 42 245.346 4 ↓

Analogs

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Popular Name: 2-[1-[[(2R)-tetrahydrofuran-2-yl]methyl]indol-3-yl]ethanamine 2-[1-[[(2R)-tetrahydrofuran-2-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) 1.51 6.31 -48.49 3 3 1 42 245.346 4 ↓

Parameters Provided:

ring.id = 45008
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 = 45008 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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