Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_vl31agloe65q8u9i89rdupr3u2, 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

12401626
12401626
33927009
33927009
33927010
33927010
5917442
5917442
5917444
5917444

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[(2R)-2-hydroxy-3-isopropoxy-propyl]-8-[(N'E)-N'-[(4-methoxyphenyl)methylene]hydrazino]-3-methyl-p 7-[(2R)-2-hydroxy-3-isopropoxy-p…

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) 0.80 -4.43 -18.47 3 11 0 136 430.465 9 ↓
Mid Mid (pH 6-8) 0.80 -4.14 -42.2 4 11 1 137 431.473 9 ↓

Analogs

33927009
33927009
33927010
33927010
5917442
5917442
5917444
5917444

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[(2S)-2-hydroxy-3-isopropoxy-propyl]-8-[(N'E)-N'-[(4-methoxyphenyl)methylene]hydrazino]-3-methyl-p 7-[(2S)-2-hydroxy-3-isopropoxy-p…

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) 0.80 -4.42 -18.43 3 11 0 136 430.465 9 ↓
Mid Mid (pH 6-8) 0.80 -4.13 -42.13 4 11 1 137 431.473 9 ↓

Analogs

4135227
4135227
6419805
6419805

Draw Identity 99% 90% 80% 70%

Popular Name: 8-[(N'Z)-N'-[(4-ethoxyphenyl)methylene]hydrazino]-7-isopentyl-3-methyl-purine-2,6-dione 8-[(N'Z)-N'-[(4-ethoxyphenyl)met…

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) 2.75 10.68 -12.51 2 9 0 106 398.467 8 ↓
Hi High (pH 8-9.5) 3.20 8.02 -56.55 1 9 -1 109 397.459 8 ↓

Analogs

4812732
4812732
3901179
3901179

Draw Identity 99% 90% 80% 70%

Popular Name: 7-isopentyl-3-methyl-8-[(N'Z)-N'-(p-tolylmethylene)hydrazino]purine-2,6-dione 7-isopentyl-3-methyl-8-[(N'Z)-N'…

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) 2.76 11.14 -11.11 2 8 0 97 368.441 6 ↓
Hi High (pH 8-9.5) 3.22 8.46 -55.09 1 8 -1 100 367.433 6 ↓

Analogs

8818018
8818018

Draw Identity 99% 90% 80% 70%

Popular Name: 8-[(N'Z)-N'-[(3-bromo-4-hydroxy-5-methoxy-phenyl)methylene]hydrazino]-7-(2-methoxyethyl)-3-methyl-pu 8-[(N'Z)-N'-[(3-bromo-4-hydroxy-…

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) 0.95 5 -14.5 3 11 0 136 467.28 7 ↓
Hi High (pH 8-9.5) 0.95 5.92 -44.92 2 11 -1 139 466.272 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[(Z)-3-chlorobut-2-enyl]-8-[(N'Z)-N'-[1-(4-methoxyphenyl)ethylidene]hydrazino]-3-methyl-purine-2,6 7-[(Z)-3-chlorobut-2-enyl]-8-[(N…

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) 2.39 10.02 -12.33 2 9 0 106 416.869 6 ↓
Mid Mid (pH 6-8) 2.39 10.53 -34.35 3 9 1 108 417.877 6 ↓

Analogs

38200803
38200803

Draw Identity 99% 90% 80% 70%

Popular Name: 7-allyl-8-[(4-chlorophenyl)methyleneaminoamino]-3-methyl-purine-2,6-dione 7-allyl-8-[(4-chlorophenyl)methy…

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) 1.98 -1.33 -12.51 2 8 0 97 358.789 5 ↓
Mid Mid (pH 6-8) 1.98 -1.03 -38.13 3 8 1 98 359.797 5 ↓

Analogs

4322366
4322366
33909688
33909688

Draw Identity 99% 90% 80% 70%

Popular Name: 7-allyl-3-methyl-8-(p-tolylmethyleneaminoamino)purine-2,6-dione 7-allyl-3-methyl-8-(p-tolylmethy…

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) 1.75 -0.86 -11.92 2 8 0 97 338.371 5 ↓
Mid Mid (pH 6-8) 1.75 -0.57 -34.68 3 8 1 98 339.379 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-allyl-8-[(3-hydroxyphenyl)methyleneaminoamino]-3-methyl-purine-2,6-dione 7-allyl-8-[(3-hydroxyphenyl)meth…

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) 0.80 -3.15 -12.96 3 9 0 117 340.343 5 ↓
Mid Mid (pH 6-8) 0.80 -2.86 -37.55 4 9 1 118 341.351 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-(2-hydroxyethyl)-8-[(4-methoxyphenyl)methyleneaminoamino]-1,3-dimethyl-purine-2,6-dione 7-(2-hydroxyethyl)-8-[(4-methoxy…

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) 1.10 -2.58 -14.41 2 10 0 115 372.385 6 ↓
Mid Mid (pH 6-8) 1.10 -2.29 -38.52 3 10 1 116 373.393 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-(2-hydroxyethyl)-8-[(4-hydroxyphenyl)methyleneaminoamino]-1,3-dimethyl-purine-2,6-dione 7-(2-hydroxyethyl)-8-[(4-hydroxy…

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) 0.56 -4.57 -15.12 3 10 0 126 358.358 5 ↓
Mid Mid (pH 6-8) 0.56 -4.28 -38.97 4 10 1 127 359.366 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-[(2-fluorophenyl)methyleneaminoamino]-7-(2-hydroxyethyl)-1,3-dimethyl-purine-2,6-dione 8-[(2-fluorophenyl)methyleneamin…

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) 1.16 -1.9 -16.22 2 9 0 106 360.349 5 ↓
Mid Mid (pH 6-8) 1.16 -1.61 -33.9 3 9 1 107 361.357 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-(2-hydroxyethyl)-8-[(3-hydroxyphenyl)methyleneaminoamino]-1,3-dimethyl-purine-2,6-dione 7-(2-hydroxyethyl)-8-[(3-hydroxy…

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) 0.54 -4.55 -14.29 3 10 0 126 358.358 5 ↓
Mid Mid (pH 6-8) 0.54 -4.28 -38.58 4 10 1 127 359.366 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(dimethylamino)benzaldehyde [7-(2-hydroxyethyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]hydrazone 4-(dimethylamino)benzaldehyde [7…

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) 1.15 -2.63 -14.06 2 10 0 109 385.428 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-(2-hydroxyethyl)-8-[(2-hydroxyphenyl)methyleneaminoamino]-1,3-dimethyl-purine-2,6-dione 7-(2-hydroxyethyl)-8-[(2-hydroxy…

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) 0.98 -4.31 -14.34 3 10 0 126 358.358 5 ↓
Mid Mid (pH 6-8) 0.98 -4.01 -36.21 4 10 1 127 359.366 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-allyl-8-[(N'Z)-N'-[(4-chlorophenyl)methylene]hydrazino]-1,3-dimethyl-purine-2,6-dione 7-allyl-8-[(N'Z)-N'-[(4-chloroph…

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) 3.00 11.54 -12.43 1 8 0 86 372.816 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-allyl-8-[(N'Z)-N'-[(4-methoxyphenyl)methylene]hydrazino]-1,3-dimethyl-purine-2,6-dione 7-allyl-8-[(N'Z)-N'-[(4-methoxyp…

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) 2.38 10.34 -13.3 1 9 0 95 368.397 6 ↓

Parameters Provided:

ring.id = 100237
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 = 100237 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=100237&filter.purchasability=annotated

Embed Link to Results