UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-[[(2R)-2-benzyloxycarbonylamino-4-methyl-pentanoyl]amino]-2-oxo-butyl] [(3S)-3-[[(2R)-2-benzyloxycarbon…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 4.84 10.04 -16.64 3 10 0 140 546.02 14 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-[[(2S)-2-benzyloxycarbonylamino-4-methyl-pentanoyl]amino]-2-oxo-butyl] [(3S)-3-[[(2S)-2-benzyloxycarbon…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 4.84 10.69 -16.48 3 10 0 140 546.02 14 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-3-[[(2R)-2-benzyloxycarbonylamino-4-methyl-pentanoyl]amino]-2-oxo-butyl] [(3R)-3-[[(2R)-2-benzyloxycarbon…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 4.84 10.03 -16.91 3 10 0 140 546.02 14 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-3-[[(2S)-2-benzyloxycarbonylamino-4-methyl-pentanoyl]amino]-2-oxo-butyl] [(3R)-3-[[(2S)-2-benzyloxycarbon…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 4.84 10.7 -17.23 3 10 0 140 546.02 14 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-[[(2R)-2-benzyloxycarbonylamino-4-methyl-pentanoyl]amino]-2-oxo-propyl] [3-[[(2R)-2-benzyloxycarbonylami…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 5.97 11.47 -16.02 2 8 0 111 509.386 13 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-[[(2S)-2-benzyloxycarbonylamino-4-methyl-pentanoyl]amino]-2-oxo-propyl] [3-[[(2S)-2-benzyloxycarbonylami…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 5.97 10.65 -15.84 2 8 0 111 509.386 13 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-[[(2S)-2-(benzyloxycarbonylamino)propanoyl]amino]-5-methyl-2-oxo-hexyl] [(3S)-3-[[(2S)-2-(benzyloxycarbo…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 5.84 11.94 -13.24 2 8 0 111 482.577 13 ↓

Parameters Provided:

ring.id = 11444
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 = 11444 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=11444&filter.purchasability=annotated

Embed Link to Results