UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

60220914
60220914

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-dodecoxy-3-(2-fluorophenyl)-3-oxo-N-phenyl-2-[5-(trifluoromethyl)tetrazol-5-yl]propanamide (2S)-2-dodecoxy-3-(2-fluoropheny…

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) 8.37 13.06 -8.49 1 8 0 105 577.623 18 ↓

Analogs

60220911
60220911

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-dodecoxy-3-(2-fluorophenyl)-3-oxo-N-phenyl-2-[5-(trifluoromethyl)tetrazol-5-yl]propanamide (2R)-2-dodecoxy-3-(2-fluoropheny…

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) 8.37 13.08 -8.76 1 8 0 105 577.623 18 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[5-(ethylamino)tetrazol-5-yl]-3-oxo-N,3-diphenyl-propanamide (2S)-2-[5-(ethylamino)tetrazol-5…

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) 3.43 2.95 -51.16 2 8 -1 114 349.374 6 ↓
Mid Mid (pH 6-8) 2.40 2.66 -15.19 2 8 0 108 350.382 7 ↓
Mid Mid (pH 6-8) 2.40 3.85 -50.95 3 8 1 112 351.39 7 ↓

Analogs

60220939
60220939

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[4-[[2-[2,4-bis(1,1-dimethylpropyl)phenoxy]acetyl]amino]-2-methoxy-phenyl]-2-(5-cyanotetrazol (2R)-N-[4-[[2-[2,4-bis(1,1-dimet…

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) 6.60 9.08 -21.11 2 12 0 167 631.778 14 ↓

Analogs

60220934
60220934

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[4-[[2-[2,4-bis(1,1-dimethylpropyl)phenoxy]acetyl]amino]-2-methoxy-phenyl]-2-(5-cyanotetrazol (2S)-N-[4-[[2-[2,4-bis(1,1-dimet…

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) 6.60 9.79 -19.19 2 12 0 167 631.778 14 ↓

Analogs

60220953
60220953

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-(2-methoxyphenyl)-2-(5-methyltetrazol-5-yl)-3-oxo-N-phenyl-propanamide (2S)-3-(2-methoxyphenyl)-2-(5-me…

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) 2.08 4.11 -12.19 1 8 0 105 351.366 6 ↓
Hi High (pH 8-9.5) 3.11 3.81 -55.95 1 8 -1 111 350.358 5 ↓

Analogs

60220950
60220950

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-(2-methoxyphenyl)-2-(5-methyltetrazol-5-yl)-3-oxo-N-phenyl-propanamide (2R)-3-(2-methoxyphenyl)-2-(5-me…

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) 2.08 4.5 -12.03 1 8 0 105 351.366 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-1-(1,1,4,4,7-pentamethyltetralin-6-yl)-3-[4-(5H-tetrazol-5-yl)phenyl]prop-2-en-1-one (E)-1-(1,1,4,4,7-pentamethyltetr…

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) 6.34 10.89 -139.96 2 5 2 70 402.542 4 ↓

Analogs

17877686
17877686

Draw Identity 99% 90% 80% 70%

Popular Name: (3E)-5-bromo-3-(5H-tetrazol-5-ylhydrazono)indolin-2-one (3E)-5-bromo-3-(5H-tetrazol-5-yl…

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) 1.62 -1.93 -7.61 2 8 0 107 308.099 2 ↓

Parameters Provided:

ring.id = 198595
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 = 198595 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=198595&filter.purchasability=annotated

Embed Link to Results