UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4488304
4488304
4868051
4868051

Draw Identity 99% 90% 80% 70%

Popular Name: [(4-diethylamino-6-morpholino-1,3,5-triazin-2-yl)-ethyl-amino]formonitrile [(4-diethylamino-6-morpholino-1,…

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) 2.93 1.67 -8.59 0 8 0 81 305.386 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-(3-methoxypropyl)-N-methyl-6-morpholino-1,3,5-triazin-2-amine 4-chloro-N-(3-methoxypropyl)-N-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) 2.32 9.16 -8.23 0 7 0 64 301.778 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-4-(4,6-dimethoxy-1,3,5-triazin-2-yl)morpholin-2-yl]methanamine [(2R)-4-(4,6-dimethoxy-1,3,5-tri…

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) 0.46 -1.89 -47.93 3 8 1 97 256.286 4 ↓
Hi High (pH 8-9.5) 0.46 -2.34 -8.13 2 8 0 96 255.278 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-4-(4,6-dimethoxy-1,3,5-triazin-2-yl)morpholin-2-yl]methanamine [(2S)-4-(4,6-dimethoxy-1,3,5-tri…

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) 0.46 -1.83 -47.84 3 8 1 97 256.286 4 ↓
Hi High (pH 8-9.5) 0.46 -2.21 -7.8 2 8 0 96 255.278 4 ↓

Analogs

619481
619481
530533
530533
210936
210936

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(dimethylamino)-6-morpholino-s-triazine-2-carboxamide 4-(dimethylamino)-6-morpholino-s…

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) -0.01 4.67 -11.37 2 8 0 97 252.278 3 ↓

Analogs

806663
806663
1109929
1109929
2392043
2392043

Draw Identity 99% 90% 80% 70%

Popular Name: 4-dimethylamino-6-morpholino-1,3,5-triazine-2-carboxylic 4-dimethylamino-6-morpholino-1,3…

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) 0.75 8.42 -52.37 0 8 -1 95 252.254 3 ↓
Lo Low (pH 4.5-6) 0.75 8.74 -25.03 1 8 0 96 253.262 3 ↓

Analogs

543366
543366
3956842
3956842
3956843
3956843

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(isopropylideneamino)oxy-6-morpholino-s-triazin-2-yl]-dimethyl-amine [4-(isopropylideneamino)oxy-6-mo…

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) 2.92 7.05 -12.93 0 8 0 76 280.332 4 ↓

Analogs

4578573
4578573
4600549
4600549
5284561
5284561
9425530
9425530

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-dimethyl-4-morpholino-6-[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]-1,3,5-triazin-2-amine N,N-dimethyl-4-morpholino-6-[2,2…

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) 4.09 -0.38 -7.09 0 7 0 63 375.273 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-methylamino-6-morpholino-1,3,5-triazin-2-yl)oxy]ethanol 2-[(4-methylamino-6-morpholino-1…

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) 1.26 -0.47 -11.08 2 8 0 93 255.278 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-dimethylamino-6-morpholino-1,3,5-triazin-2-yl)oxy]ethanol 2-[(4-dimethylamino-6-morpholino…

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 1.6 -11.41 1 8 0 84 269.305 5 ↓

Analogs

34601593
34601593
3632745
3632745
4006659
4006659

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-dimethyl-6-morpholino-1,3,5-triazine-2,4-diamine N,N-dimethyl-6-morpholino-1,3,5-…

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) 0.87 6.25 -8.02 2 7 0 80 224.268 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-dimethyl-4-(2-methylprop-1-enoxy)-6-morpholino-1,3,5-triazin-2-amine N,N-dimethyl-4-(2-methylprop-1-e…

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) 3.59 6.46 -8.45 0 7 0 64 279.344 4 ↓

Analogs

34601593
34601593

Draw Identity 99% 90% 80% 70%

Popular Name: N,N,N'-trimethyl-6-morpholino-1,3,5-triazine-2,4-diamine N,N,N'-trimethyl-6-morpholino-1,…

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) 1.67 7.34 -8.42 1 7 0 66 238.295 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-[(1R)-1,4-dimethylpentyl]-6-morpholino-1,3,5-triazin-2-amine 4-chloro-N-[(1R)-1,4-dimethylpen…

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) 3.96 10.97 -5.46 1 6 0 63 313.833 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-[(1S)-1,4-dimethylpentyl]-6-morpholino-1,3,5-triazin-2-amine 4-chloro-N-[(1S)-1,4-dimethylpen…

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) 3.96 10.97 -5.51 1 6 0 63 313.833 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[(4-chloro-6-morpholino-1,3,5-triazin-2-yl)-methyl-amino]butanenitrile (3S)-3-[(4-chloro-6-morpholino-1…

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) 1.86 10.47 -14.98 0 7 0 78 296.762 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[(4-chloro-6-morpholino-1,3,5-triazin-2-yl)-methyl-amino]butanenitrile (3R)-3-[(4-chloro-6-morpholino-1…

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) 1.86 10.48 -14.92 0 7 0 78 296.762 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-6-morpholino-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine 4-chloro-6-morpholino-N-(3,3,3-t…

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) 2.90 8.34 -7.83 1 6 0 63 311.695 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-(1,1-dimethylpropyl)-N-methyl-6-morpholino-1,3,5-triazin-2-amine 4-chloro-N-(1,1-dimethylpropyl)-…

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) 3.75 11.06 -5.83 0 6 0 54 299.806 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-(2-methylsulfanylethyl)-6-morpholino-1,3,5-triazin-2-amine 4-chloro-N-(2-methylsulfanylethy…

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) 2.23 8.41 -6.83 1 6 0 63 289.792 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-(3-methylsulfanylpropyl)-6-morpholino-1,3,5-triazin-2-amine 4-chloro-N-(3-methylsulfanylprop…

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) 2.50 9.19 -6.53 1 6 0 63 303.819 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-[(2S)-2-methyl-3-methylsulfanyl-propyl]-6-morpholino-1,3,5-triazin-2-amine 4-chloro-N-[(2S)-2-methyl-3-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) 2.98 9.82 -6.03 1 6 0 63 317.846 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-[(2R)-2-methyl-3-methylsulfanyl-propyl]-6-morpholino-1,3,5-triazin-2-amine 4-chloro-N-[(2R)-2-methyl-3-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) 2.98 9.83 -6.02 1 6 0 63 317.846 6 ↓

Parameters Provided:

ring.id = 4429
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 = 4429 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=4429&filter.purchasability=annotated

Embed Link to Results