Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_tc5l69plh5a8pnlcn1e3oub8r3, 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: (3R)-N-[(1R)-1-(2,4-dimethylthiazol-5-yl)ethyl]-1,1-dioxo-thian-3-amine (3R)-N-[(1R)-1-(2,4-dimethylthia…

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 1.7 -13.81 1 4 0 59 288.438 3 ↓
Mid Mid (pH 6-8) 0.95 2.71 -56.17 2 4 1 64 289.446 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(1S)-1-(2,4-dimethylthiazol-5-yl)ethyl]-1,1-dioxo-thian-3-amine (3R)-N-[(1S)-1-(2,4-dimethylthia…

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 1.77 -14.74 1 4 0 59 288.438 3 ↓
Mid Mid (pH 6-8) 0.95 2.76 -58.48 2 4 1 64 289.446 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(1R)-1-(2,4-dimethylthiazol-5-yl)ethyl]-1,1-dioxo-thian-3-amine (3S)-N-[(1R)-1-(2,4-dimethylthia…

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 1.72 -17.07 1 4 0 59 288.438 3 ↓
Mid Mid (pH 6-8) 0.95 2.75 -58.66 2 4 1 64 289.446 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(1S)-1-(2,4-dimethylthiazol-5-yl)ethyl]-1,1-dioxo-thian-3-amine (3S)-N-[(1S)-1-(2,4-dimethylthia…

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 1.7 -13.78 1 4 0 59 288.438 3 ↓
Mid Mid (pH 6-8) 0.95 2.73 -55.85 2 4 1 64 289.446 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(aminomethyl)-N-methyl-N-[(4-methylthiazol-5-yl)methyl]-1,1-dioxo-thian-3-amine (3S)-3-(aminomethyl)-N-methyl-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) -0.20 -0.63 -55.69 3 5 1 78 304.461 4 ↓
Hi High (pH 8-9.5) -0.20 -1.49 -13.67 2 5 0 76 303.453 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(aminomethyl)-N-methyl-N-[(4-methylthiazol-5-yl)methyl]-1,1-dioxo-thian-3-amine (3R)-3-(aminomethyl)-N-methyl-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) -0.20 -0.62 -51.95 3 5 1 78 304.461 4 ↓
Hi High (pH 8-9.5) -0.20 -1.51 -13.64 2 5 0 76 303.453 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[[(3R)-1,1-dioxothian-3-yl]amino]methyl]-4-methoxy-N,N-dimethyl-thiazol-2-amine 5-[[[(3R)-1,1-dioxothian-3-yl]am…

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) 0.86 -0.05 -15.35 1 6 0 72 319.452 5 ↓
Mid Mid (pH 6-8) 0.86 1.13 -53.53 2 6 1 76 320.46 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[[(3S)-1,1-dioxothian-3-yl]amino]methyl]-4-methoxy-N,N-dimethyl-thiazol-2-amine 5-[[[(3S)-1,1-dioxothian-3-yl]am…

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) 0.86 -0.06 -15 1 6 0 72 319.452 5 ↓
Mid Mid (pH 6-8) 0.86 1.12 -52.46 2 6 1 76 320.46 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(1R)-1-(4-methylthiazol-5-yl)ethyl]-1,1-dioxo-thian-3-amine (3R)-N-[(1R)-1-(4-methylthiazol-…

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) 1.24 0.96 -13.45 1 4 0 59 274.411 3 ↓
Mid Mid (pH 6-8) 1.24 1.98 -56.43 2 4 1 64 275.419 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(1S)-1-(4-methylthiazol-5-yl)ethyl]-1,1-dioxo-thian-3-amine (3R)-N-[(1S)-1-(4-methylthiazol-…

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) 1.24 1.03 -14.39 1 4 0 59 274.411 3 ↓
Mid Mid (pH 6-8) 1.24 2.02 -58.72 2 4 1 64 275.419 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(1R)-1-(4-methylthiazol-5-yl)ethyl]-1,1-dioxo-thian-3-amine (3S)-N-[(1R)-1-(4-methylthiazol-…

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) 1.24 0.98 -16.6 1 4 0 59 274.411 3 ↓
Mid Mid (pH 6-8) 1.24 2.01 -58.97 2 4 1 64 275.419 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(1S)-1-(4-methylthiazol-5-yl)ethyl]-1,1-dioxo-thian-3-amine (3S)-N-[(1S)-1-(4-methylthiazol-…

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) 1.24 0.96 -13.55 1 4 0 59 274.411 3 ↓
Mid Mid (pH 6-8) 1.24 1.99 -56.21 2 4 1 64 275.419 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(1R)-1-(2-tert-butyl-4-methyl-thiazol-5-yl)ethyl]-1,1-dioxo-thian-3-amine (3R)-N-[(1R)-1-(2-tert-butyl-4-m…

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) 2.67 3.56 -13.34 1 4 0 59 330.519 4 ↓
Mid Mid (pH 6-8) 2.67 4.57 -55.66 2 4 1 64 331.527 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(1S)-1-(2-tert-butyl-4-methyl-thiazol-5-yl)ethyl]-1,1-dioxo-thian-3-amine (3R)-N-[(1S)-1-(2-tert-butyl-4-m…

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) 2.67 3.62 -14.35 1 4 0 59 330.519 4 ↓
Mid Mid (pH 6-8) 2.67 4.62 -58 2 4 1 64 331.527 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(1R)-1-(2-tert-butyl-4-methyl-thiazol-5-yl)ethyl]-1,1-dioxo-thian-3-amine (3S)-N-[(1R)-1-(2-tert-butyl-4-m…

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) 2.67 3.56 -16.76 1 4 0 59 330.519 4 ↓
Mid Mid (pH 6-8) 2.67 4.61 -58.19 2 4 1 64 331.527 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(1S)-1-(2-tert-butyl-4-methyl-thiazol-5-yl)ethyl]-1,1-dioxo-thian-3-amine (3S)-N-[(1S)-1-(2-tert-butyl-4-m…

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) 2.67 3.55 -13.31 1 4 0 59 330.519 4 ↓
Mid Mid (pH 6-8) 2.67 4.59 -55.39 2 4 1 64 331.527 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(2-ethylthiazol-5-yl)methyl]-1,1-dioxo-thian-3-amine (3R)-N-[(2-ethylthiazol-5-yl)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) 0.74 1.27 -13.39 1 4 0 59 274.411 4 ↓
Mid Mid (pH 6-8) 0.74 2.46 -59.32 2 4 1 64 275.419 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(2-ethylthiazol-5-yl)methyl]-1,1-dioxo-thian-3-amine (3S)-N-[(2-ethylthiazol-5-yl)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) 0.74 1.27 -14.08 1 4 0 59 274.411 4 ↓
Mid Mid (pH 6-8) 0.74 2.47 -59.19 2 4 1 64 275.419 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(2-tert-butylthiazol-5-yl)methyl]-1,1-dioxo-thian-3-amine (3R)-N-[(2-tert-butylthiazol-5-y…

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) 1.89 2.36 -13.17 1 4 0 59 302.465 4 ↓
Mid Mid (pH 6-8) 1.89 3.56 -58.88 2 4 1 64 303.473 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(2-tert-butylthiazol-5-yl)methyl]-1,1-dioxo-thian-3-amine (3S)-N-[(2-tert-butylthiazol-5-y…

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) 1.89 2.36 -13.82 1 4 0 59 302.465 4 ↓
Mid Mid (pH 6-8) 1.89 3.56 -58.83 2 4 1 64 303.473 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[[(3R)-1,1-dioxothian-3-yl]amino]methyl]-N,N-diethyl-thiazol-2-amine 5-[[[(3R)-1,1-dioxothian-3-yl]am…

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) 1.43 3.41 -14.19 1 5 0 62 317.48 6 ↓
Mid Mid (pH 6-8) 1.43 4.61 -57.05 2 5 1 67 318.488 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[[(3S)-1,1-dioxothian-3-yl]amino]methyl]-N,N-diethyl-thiazol-2-amine 5-[[[(3S)-1,1-dioxothian-3-yl]am…

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) 1.43 3.41 -14.87 1 5 0 62 317.48 6 ↓
Mid Mid (pH 6-8) 1.43 4.61 -56.99 2 5 1 67 318.488 6 ↓

Parameters Provided:

ring.id = 287237
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 = 287237 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=287237&filter.purchasability=annotated

Embed Link to Results