UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4131708
4131708

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Popular Name: (1R,3aR,6aS)-1-(2-chlorophenyl)-5-(3,4-dimethylphenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2' (1R,3aR,6aS)-1-(2-chlorophenyl)-…

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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) 4.71 13.95 -15.1 0 6 0 81 485.923 2 ↓
Ref Reference (pH 7) 4.71 12.53 -11.22 0 6 0 81 485.923 2 ↓

Analogs

3974230
3974230

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Popular Name: (3R,3aR,6aS)-5-(3,4-dichlorophenyl)-3-phenyl-spiro[3a,6a-dihydro-3H-furo[3,4-c]pyrrole-1,2'-indane]- (3R,3aR,6aS)-5-(3,4-dichlorophen…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SYFM-1-E Phenylalanyl-tRNA Synthetase Mitochondrial (cluster #1 Of 1), Eukaryotic Eukaryotes 5000 0.22 Binding ≤ 10μM
SYFA-1-B Phenylalanyl-tRNA Synthetase Alpha Chain (cluster #1 Of 1), Bacterial Bacteria 5 0.34 Binding ≤ 10μM
SYFA-1-B Phenylalanyl-tRNA Synthetase Alpha Chain (cluster #1 Of 1), Bacterial Bacteria 850 0.25 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SYFA_STRP8 Q8P1K1 Phenylalanyl-tRNA Synthetase Alpha Chain, Strp8 2 0.36 Binding ≤ 1μM
SYFA_STRP8 Q8P1K1 Phenylalanyl-tRNA Synthetase Alpha Chain, Strp8 2 0.36 Binding ≤ 10μM
SYFM_HUMAN O95363 Phenylalanyl-tRNA Synthetase Mitochondrial, Human 2000 0.23 Binding ≤ 10μM

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) 4.54 11.81 -11.12 0 6 0 81 492.314 2 ↓
Ref Reference (pH 7) 4.54 13.11 -15.81 0 6 0 81 492.314 2 ↓
Ref Reference (pH 7) 4.54 11.72 -9.09 0 6 0 81 492.314 2 ↓

Analogs

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Popular Name: 5-(3-chloro-2-methoxyphenyl)-1-(3-methylphenyl)-3a,6a-dihydrosprio[1H-furo[3,4-c]pyrrole-3,2'-(1'H)-indene]-1',3',4,6(2'H,3H,5H)-tetrone 5-(3-chloro-2-methoxyphenyl)-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) 4.34 12.9 -17.69 0 7 0 90 501.922 3 ↓
Ref Reference (pH 7) 4.34 11.51 -13.8 0 7 0 90 501.922 3 ↓

Analogs

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Popular Name: (1R,3aR,6aS)-1-(2-chlorophenyl)-5-(2,3-dimethylphenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2' (1R,3aR,6aS)-1-(2-chlorophenyl)-…

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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) 4.68 13.05 -12.71 0 6 0 81 485.923 2 ↓

Analogs

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Popular Name: (1S,3aR,6aS)-5-(3-chloro-2-methyl-phenyl)-1-(4-fluorophenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrol (1S,3aR,6aS)-5-(3-chloro-2-methy…

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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) 4.45 12.14 -11.11 0 6 0 81 489.886 2 ↓

Analogs

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Popular Name: (3S,3aS,6aR)-5-(2,4-dimethoxyphenyl)-3-(p-tolyl)spiro[3a,6a-dihydro-3H-furo[3,4-c]pyrrole-1,2'-indan (3S,3aS,6aR)-5-(2,4-dimethoxyphe…

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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) 3.74 11.56 -15.36 0 8 0 99 497.503 4 ↓
Ref Reference (pH 7) 3.74 9.99 -15.09 0 8 0 99 497.503 4 ↓

Analogs

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Popular Name: (3R,3aS,6aR)-5-(2,4-dimethoxyphenyl)-3-(p-tolyl)spiro[3a,6a-dihydro-3H-furo[3,4-c]pyrrole-1,2'-indan (3R,3aS,6aR)-5-(2,4-dimethoxyphe…

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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) 3.74 11.69 -19.63 0 8 0 99 497.503 4 ↓
Ref Reference (pH 7) 3.74 10.29 -14.89 0 8 0 99 497.503 4 ↓

Analogs

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Popular Name: (1R,3aS,6aS)-1-(4-chlorophenyl)-5-(2-nitrophenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-inda (1R,3aS,6aS)-1-(4-chlorophenyl)-…

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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) 3.84 12.59 -17.5 0 9 0 127 502.866 3 ↓

Analogs

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Popular Name: N-[4-[(3S,3aS,6aR)-1',3',4,6-tetraoxo-3-(p-tolyl)spiro[3a,6a-dihydro-3H-furo[3,4-c]pyrrole-1,2'-inda N-[4-[(3S,3aS,6aR)-1',3',4,6-tet…

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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) 2.92 10.01 -17 1 8 0 110 494.503 3 ↓

Analogs

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Popular Name: N-[4-[(3R,3aS,6aR)-1',3',4,6-tetraoxo-3-(p-tolyl)spiro[3a,6a-dihydro-3H-furo[3,4-c]pyrrole-1,2'-inda N-[4-[(3R,3aS,6aR)-1',3',4,6-tet…

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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) 2.92 10.32 -16.53 1 8 0 110 494.503 3 ↓

Parameters Provided:

ring.id = 42510
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 = 42510 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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