UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4242023
4242023
4242027
4242027
2385847
2385847

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Popular Name: Fmoc-(s)-3-amino-4-(pentafluoro-phenyl)-butyric acid Fmoc-(s)-3-amino-4-(pentafluoro-…

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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) 6.93 4.3 -52.87 1 5 -1 78 490.404 8 ↓

Analogs

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Popular Name: FMOC-(S)-3-AMINO-4-(2,4-DICHLORO-PHENYL)-BUTYRIC ACID FMOC-(S)-3-AMINO-4-(2,4-DICHLORO…

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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) 7.69 0.81 -55.9 1 5 -1 78 469.344 8 ↓

Analogs

2385864
2385864

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Popular Name: Fmoc-(S)-3-amino-4-(3,4-dichloro-phenyl)-butyric acid Fmoc-(S)-3-amino-4-(3,4-dichloro…

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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) 7.69 0.11 -55.8 1 5 -1 78 469.344 8 ↓

Analogs

2385868
2385868

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Popular Name: Fmoc-(s)-3-amino-4-(3,4-difluoro-phenyl)-butyric acid Fmoc-(s)-3-amino-4-(3,4-difluoro…

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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) 6.66 1.86 -57.07 1 5 -1 78 436.434 8 ↓

Analogs

2385882
2385882

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Popular Name: (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(4-iodophenyl)butyrate (3S)-3-(9H-fluoren-9-ylmethoxyca…

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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) 7.49 -0.42 -55.01 1 5 -1 78 526.35 8 ↓

Analogs

2385885
2385885

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Popular Name: Fmoc-(s)-3-amino-4-(2-trifluoromethyl-phenyl)-butyric acid Fmoc-(s)-3-amino-4-(2-trifluorom…

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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) 7.25 2.81 -53.4 1 5 -1 78 468.451 9 ↓

Analogs

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Popular Name: Fmoc-(s)-3-amino-4-(3-trifluoromethyl-phenyl)-butyric acid Fmoc-(s)-3-amino-4-(3-trifluorom…

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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) 7.28 2.2 -50.85 1 5 -1 78 468.451 9 ↓

Analogs

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Popular Name: Fmoc-(s)-3-amino-4-(4-trifluoromethyl-phenyl)-butyric acid Fmoc-(s)-3-amino-4-(4-trifluorom…

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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) 7.30 2.58 -55.19 1 5 -1 78 468.451 9 ↓

Analogs

2385894
2385894

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Popular Name: Fmoc-(S)-3-amino-4-(2-cyano-phenyl)-butyric acid Fmoc-(S)-3-amino-4-(2-cyano-phen…

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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) 6.11 2.18 -59.47 1 6 -1 102 425.464 8 ↓

Analogs

2385898
2385898

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Popular Name: FMOC-(S)-3-AMINO-4-(3-CYANO-PHENYL)-BUTYRIC ACID FMOC-(S)-3-AMINO-4-(3-CYANO-PHEN…

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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) 6.13 1.42 -51.79 1 6 -1 102 425.464 8 ↓

Analogs

2385901
2385901

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Popular Name: Fmoc-(S)-3-Amino-4-(4-cyanophenyl)butanoic acid Fmoc-(S)-3-Amino-4-(4-cyanopheny…

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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) 6.16 1.79 -55.97 1 6 -1 102 425.464 8 ↓

Parameters Provided:

ring.id = 233503
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 = 233503 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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