Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_huotdfe0ik6emv4ukhte8feur2, O_RDWR) failed: No such file or directory (2) in /domains/zinc12/htdocs/lib/zinc/user/ZincAuthentication.php on line 109

Warning: session_write_close() [function.session-write-close]: Failed to write session data (files). Please verify that the current setting of session.save_path is correct (/tmp/session) in /domains/zinc12/htdocs/lib/zinc/user/ZincAuthentication.php on line 109
Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3'S,4'S,5'R,6aR,8S)-3',4'-dihydroxy-5'-(hydroxymethyl)-5-methyl-spiro[7,9-dihydro-6aH-pyrrolo[2,1-c (3'S,4'S,5'R,6aR,8S)-3',4'-dihyd…

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) -0.81 -3.86 -17.42 3 8 0 111 348.355 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3'S,4'S,5'R,6aR,8S)-2-amino-3',4'-dihydroxy-5'-(hydroxymethyl)spiro[5,6a,7,9-tetrahydropyrrolo[2,1- (3'S,4'S,5'R,6aR,8S)-2-amino-3',…

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) -2.01 -7.63 -17.66 6 9 0 145 349.343 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3'S,4'S,5'R,6aR,8S)-2-chloro-3',4'-dihydroxy-5'-(hydroxymethyl)-5-methyl-spiro[7,9-dihydro-6aH-pyrr (3'S,4'S,5'R,6aR,8S)-2-chloro-3'…

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) -0.16 -3.33 -16.44 3 8 0 111 382.8 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3'R,4'R,5'S,6aS,8R)-3',4'-dihydroxy-5'-(hydroxymethyl)spiro[5,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]b (3'R,4'R,5'S,6aS,8R)-3',4'-dihyd…

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) -1.06 -5.33 -16.54 4 8 0 119 334.328 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3'R,4'R,5'S,6aS,8R)-3',4'-dihydroxy-5'-(hydroxymethyl)-5-methyl-spiro[7,9-dihydro-6aH-pyrrolo[2,1-c (3'R,4'R,5'S,6aS,8R)-3',4'-dihyd…

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) -0.81 -3.74 -17.15 3 8 0 111 348.355 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3'S,4'S,5'R,6aR,8S)-3',4'-dihydroxy-5'-(hydroxymethyl)spiro[5,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]b (3'S,4'S,5'R,6aR,8S)-3',4'-dihyd…

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) -1.06 -5.49 -17.06 4 8 0 119 334.328 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3'R,4'R,5'S,6aS,8R)-2-amino-3',4'-dihydroxy-5'-(hydroxymethyl)-5-methyl-spiro[7,9-dihydro-6aH-pyrro (3'R,4'R,5'S,6aS,8R)-2-amino-3',…

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) -1.76 -5.88 -17.81 5 9 0 137 363.37 1 ↓

Parameters Provided:

ring.id = 473408
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 = 473408 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=473408&filter.purchasability=annotated

Embed Link to Results