UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (3R)-3-[[2-(1,1-dimethylprop-2-enyl)-1H-indol-3-yl]methyl]-2,3,6,7-tetrahydropyrrolo[2,1-f]pyrazine- (3R)-3-[[2-(1,1-dimethylprop-2-e…

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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) 3.37 7.74 -9.01 2 5 0 65 349.434 4 ↓

Analogs

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Popular Name: (3S)-3-[[2-(1,1-dimethylprop-2-enyl)-1H-indol-3-yl]methyl]-2,3,6,7-tetrahydropyrrolo[2,1-f]pyrazine- (3S)-3-[[2-(1,1-dimethylprop-2-e…

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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) 3.37 7.73 -9.19 2 5 0 65 349.434 4 ↓

Analogs

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Popular Name: (3R)-3-benzyl-2,3,6,7-tetrahydropyrrolo[2,1-f]pyrazine-1,4-dione (3R)-3-benzyl-2,3,6,7-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) 1.18 5.21 -8.75 1 4 0 49 242.278 2 ↓

Analogs

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Popular Name: (3S)-3-benzyl-2,3,6,7-tetrahydropyrrolo[2,1-f]pyrazine-1,4-dione (3S)-3-benzyl-2,3,6,7-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) 1.18 5.18 -8.67 1 4 0 49 242.278 2 ↓

Analogs

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Popular Name: (3S,6Z)-3-benzyl-6-(2-methylpropylidene)piperazine-2,5-dione (3S,6Z)-3-benzyl-6-(2-methylprop…

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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 5.09 -6.55 2 4 0 58 258.321 3 ↓

Analogs

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Popular Name: cyclo(dehydrophenylalanyl-L-leucyl) cyclo(dehydrophenylalanyl-L-leucyl)

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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) 2.49 5.41 -6.76 2 4 0 58 258.321 3 ↓

Analogs

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Popular Name: (3R)-3-(1H-indol-3-ylmethyl)-2,3,6,7-tetrahydropyrrolo[2,1-f]pyrazine-1,4-dione (3R)-3-(1H-indol-3-ylmethyl)-2,3…

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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) 1.33 5.12 -10.61 2 5 0 65 281.315 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(1H-indol-3-ylmethyl)-2,3,6,7-tetrahydropyrrolo[2,1-f]pyrazine-1,4-dione (3S)-3-(1H-indol-3-ylmethyl)-2,3…

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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) 1.33 5.25 -11.33 2 5 0 65 281.315 2 ↓

Parameters Provided:

ring.id = 139945
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 = 139945 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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