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: N2-benzyl-N4-[(2,6-dichloro-3-nitro-phenyl)methyleneamino]-N6,N6-dimethyl-1,3,5-triazine-2,4,6-triam N2-benzyl-N4-[(2,6-dichloro-3-ni…

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) 5.04 -1.01 -10.79 2 10 0 124 461.313 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N2-benzyl-N4-[(3-bromo-4-methoxy-phenyl)methyleneamino]-N6,N6-dimethyl-1,3,5-triazine-2,4,6-triamine N2-benzyl-N4-[(3-bromo-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) 4.67 -2.01 -10.76 2 8 0 87 456.348 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-3-nitrobenzaldehyde [4-(benzylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]hydrazone 4-bromo-3-nitrobenzaldehyde [4-(…

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) 4.57 -1.56 -12.16 2 10 0 124 471.319 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N2-benzyl-N4-[(4-chloro-3-nitro-phenyl)methyleneamino]-N6,N6-dimethyl-1,3,5-triazine-2,4,6-triamine N2-benzyl-N4-[(4-chloro-3-nitro-…

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) 4.44 -1 -12.39 2 10 0 124 426.868 8 ↓

Analogs

32123426
32123426
6473811
6473811

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-3-nitrobenzaldehyde {4-(dimethylamino)-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl}hydrazone 4-chloro-3-nitrobenzaldehyde {4-…

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) 4.92 0.73 -13.07 2 10 0 124 430.831 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N2-benzyl-N4-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methyleneamino]-N6,N6-dimethyl-1,3,5-triazine-2 N2-benzyl-N4-[[4-[(2,4-dichlorop…

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) 6.81 -1.37 -11.13 2 8 0 87 522.44 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N4-[(2,4-dichlorophenyl)methyleneamino]-N2-(4-fluorophenyl)-N6,N6-dimethyl-1,3,5-triazine-2,4,6-tria N4-[(2,4-dichlorophenyl)methylen…

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) 5.64 0.31 -10.9 2 7 0 78 420.279 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N2-benzyl-N4-[[5-(2-chloro-5-nitro-phenyl)-2-furyl]methyleneamino]-N6,N6-dimethyl-1,3,5-triazine-2,4 N2-benzyl-N4-[[5-(2-chloro-5-nit…

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) 5.61 -1.25 -17.68 2 11 0 137 492.927 9 ↓

Analogs

8872970
8872970

Draw Identity 99% 90% 80% 70%

Popular Name: N4-[[5-(2-chloro-5-nitro-phenyl)-2-furyl]methyleneamino]-N2-(4-fluorophenyl)-N6,N6-dimethyl-1,3,5-tr N4-[[5-(2-chloro-5-nitro-phenyl)…

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) 6.09 0.95 -17.15 2 11 0 137 496.89 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N2-(4-fluorophenyl)-N4-[[5-(2-methoxy-5-nitro-phenyl)-2-furyl]methyleneamino]-N6,N6-dimethyl-1,3,5-t N2-(4-fluorophenyl)-N4-[[5-(2-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) 5.47 1.26 -17.9 2 12 0 146 492.471 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N2-benzyl-N6,N6-dimethyl-N4-[[5-(4-nitrophenyl)-2-furyl]methyleneamino]-1,3,5-triazine-2,4,6-triamin N2-benzyl-N6,N6-dimethyl-N4-[[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) 5.01 -0.92 -18.33 2 11 0 137 458.482 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N2-benzyl-N4-[[5-(4-methoxy-2-nitro-phenyl)-2-furyl]methyleneamino]-N6,N6-dimethyl-1,3,5-triazine-2, N2-benzyl-N4-[[5-(4-methoxy-2-ni…

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) 4.99 -0.69 -25.17 2 12 0 146 488.508 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N2-(4-fluorophenyl)-N4-[[5-(4-methoxy-2-nitro-phenyl)-2-furyl]methyleneamino]-N6,N6-dimethyl-1,3,5-t N2-(4-fluorophenyl)-N4-[[5-(4-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) 5.47 1.41 -24.33 2 12 0 146 492.471 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[5-[(4-benzylamino-6-dimethylamino-1,3,5-triazin-2-yl)aminoiminomethyl]-2-furyl]benzoic 3-[5-[(4-benzylamino-6-dimethyla…

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) 4.94 -1.39 -71.06 2 10 -1 131 456.486 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N2-benzyl-N6,N6-dimethyl-N4-[[5-(3-nitrophenyl)-2-furyl]methyleneamino]-1,3,5-triazine-2,4,6-triamin N2-benzyl-N6,N6-dimethyl-N4-[[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) 4.98 -0.83 -22.89 2 11 0 137 458.482 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N2-benzyl-N4-[(3-bromophenyl)methyleneamino]-N6,N6-dimethyl-1,3,5-triazine-2,4,6-triamine N2-benzyl-N4-[(3-bromophenyl)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) 4.66 16.16 -9.33 2 7 0 78 426.322 7 ↓
Lo Low (pH 4.5-6) 4.66 16.43 -28.88 3 7 1 80 427.33 7 ↓
Lo Low (pH 4.5-6) 4.66 16.45 -30.72 3 7 1 80 427.33 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N2-(4-fluorophenyl)-N6,N6-dimethyl-N4-[[2-(trifluoromethyl)phenyl]methyleneamino]-1,3,5-triazine-2,4 N2-(4-fluorophenyl)-N6,N6-dimeth…

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) 5.20 2.76 -13.27 2 7 0 78 419.386 7 ↓

Analogs

25496589
25496589
5051268
5051268

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-2-(2,4-dichlorophenoxy)-acetamide N-[2-[[4,6-bis(dimethylamino)-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) 4.48 9.9 -17.51 1 9 0 93 429.308 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(benzo[1,3]dioxol-5-ylmethyleneamino)-N-methyl-4,6-dimorpholino-1,3,5-triazin-2-amine N-(benzo[1,3]dioxol-5-ylmethylen…

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) 2.66 12.72 -13.11 0 11 0 98 427.465 5 ↓
Mid Mid (pH 6-8) 2.66 13.11 -29.23 1 11 1 99 428.473 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

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) 3.89 -3.89 -12.77 2 10 0 113 447.499 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

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) 6.04 7.09 -14.06 0 12 0 145 531.477 12 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl (4,6-diamino-1,3,5-triazin-2-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) 1.48 -2.48 -10.8 4 7 0 117 287.323 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl (4,6-diamino-1,3,5-triazin-2-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) 1.74 -3.52 -9.74 4 9 0 135 398.217 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl (4,6-diamino-1,3,5-triazin-2-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) 1.38 -2.84 -12.09 4 8 0 130 299.29 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine 6-[(4-allyl-5-cyclohexyl-1,2,4-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) 1.69 -3.9 -12.37 4 8 0 121 346.464 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl (4,6-diamino-1,3,5-triazin-2-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) 1.12 -2.85 -12.19 4 9 0 134 359.777 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl (4,6-diamino-1,3,5-triazin-2-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) -0.34 6.09 -11.03 4 8 0 122 248.246 4 ↓

Analogs

19297637
19297637

Draw Identity 99% 90% 80% 70%

Popular Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl (4,6-diamino-1,3,5-triazin-2-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) 2.67 -2.13 -15.09 4 8 0 134 377.404 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl (4,6-diamino-1,3,5-triazin-2-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) 1.28 -4.29 -10.35 4 8 0 126 368.191 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl (4,6-diamino-1,3,5-triazin-2-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) 3.61 -2.71 -11.71 4 7 0 117 395.488 7 ↓

Analogs

7501884
7501884

Draw Identity 99% 90% 80% 70%

Popular Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl (4,6-diamino-1,3,5-triazin-2-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) 1.22 -2.63 -13.15 4 9 0 135 345.359 8 ↓

Analogs

7086745
7086745

Draw Identity 99% 90% 80% 70%

Popular Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl (4,6-diamino-1,3,5-triazin-2-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) 1.35 -2.53 -11.89 4 8 0 126 303.322 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-chlorophenyl)-[4-[(4,6-diamino-1,3,5-triazin-2-yl)methoxy]phenyl]-methanone (4-chlorophenyl)-[4-[(4,6-diamin…

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) 2.80 -3.89 -11.25 4 7 0 117 355.785 5 ↓

Analogs

7181069
7181069

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine 6-[(5-methylsulfanyl-1,3,4-thiad…

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) 0.65 -6.28 -9.67 4 7 0 116 287.399 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl (4,6-diamino-1,3,5-triazin-2-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) 2.67 9.5 -10.32 4 8 0 130 370.438 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl (4,6-diamino-1,3,5-triazin-2-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) 2.05 -3.63 -13.62 4 8 0 126 372.212 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl (4,6-diamino-1,3,5-triazin-2-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) 2.18 -3.21 -12.24 4 8 0 126 358.185 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl (4,6-diamino-1,3,5-triazin-2-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) 2.18 -3.21 -12.27 4 8 0 126 358.185 6 ↓

Analogs

16252126
16252126

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(2-chlorophenyl)sulfanylmethyl]-N'-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine 6-[(2-chlorophenyl)sulfanylmethy…

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) 4.19 -2.58 -10.79 3 6 0 85 373.869 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(2-chloro-4-fluoro-phenoxy)methyl]-N'-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine 6-[(2-chloro-4-fluoro-phenoxy)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) 3.95 10.47 -10.92 3 7 0 95 375.791 6 ↓

Analogs

8980727
8980727

Draw Identity 99% 90% 80% 70%

Popular Name: N',N'-dimethyl-6-[1-[(3,7,8-trimethyl-9-thia-2,4-diazabicyclo[4.3.0]nona-1,3,5,7-tetraen-5-yl)sulfan N',N'-dimethyl-6-[1-[(3,7,8-trim…

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 -2.94 -11.31 2 7 0 93 375.527 4 ↓

Analogs

8980723
8980723

Draw Identity 99% 90% 80% 70%

Popular Name: N',N'-dimethyl-6-[1-[(3,7,8-trimethyl-9-thia-2,4-diazabicyclo[4.3.0]nona-1,3,5,7-tetraen-5-yl)sulfan N',N'-dimethyl-6-[1-[(3,7,8-trim…

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 -2.88 -11.33 2 7 0 93 375.527 4 ↓

Analogs

8980737
8980737

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[1-[(5-isopropylamino-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-N',N'-dimethyl-1,3,5-triazine-2,4-diam 6-[1-[(5-isopropylamino-1,3,4-th…

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) 2.10 8.61 -10.54 3 8 0 106 340.482 6 ↓

Analogs

8980733
8980733

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[1-[(5-isopropylamino-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-N',N'-dimethyl-1,3,5-triazine-2,4-diam 6-[1-[(5-isopropylamino-1,3,4-th…

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) 2.10 8.61 -10.53 3 8 0 106 340.482 6 ↓

Analogs

8980745
8980745

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[1-[[5-benzyl-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-N',N'-dimethyl-1,3,5-triazine- 6-[1-[[5-benzyl-4-(2-methoxyethy…

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) 2.62 -1.49 -12.42 2 9 0 107 414.539 9 ↓

Analogs

8980742
8980742

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[1-[[5-benzyl-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-N',N'-dimethyl-1,3,5-triazine- 6-[1-[[5-benzyl-4-(2-methoxyethy…

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) 2.62 -1.71 -12.99 2 9 0 107 414.539 9 ↓

Analogs

14071313
14071313

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[1-[[5-(5-chloro-2-methoxy-phenyl)-4H-1,2,4-triazol-3-yl]sulfanyl]ethyl]-N',N'-dimethyl-1,3,5-tria 6-[1-[[5-(5-chloro-2-methoxy-phe…

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) 3.28 10.97 -11.54 3 9 0 119 406.903 6 ↓
Hi High (pH 8-9.5) 3.28 10.61 -50.37 2 9 -1 117 405.895 6 ↓

Analogs

8980777
8980777

Draw Identity 99% 90% 80% 70%

Popular Name: N',N'-dimethyl-6-[1-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,3,5-triazine N',N'-dimethyl-6-[1-[[4-methyl-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) 1.57 0.56 -10.1 2 8 0 98 348.358 5 ↓

Analogs

8980774
8980774

Draw Identity 99% 90% 80% 70%

Popular Name: N',N'-dimethyl-6-[1-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,3,5-triazine N',N'-dimethyl-6-[1-[[4-methyl-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) 1.57 0.43 -10.3 2 8 0 98 348.358 5 ↓

Parameters Provided:

ring.id = 4430
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 = 4430 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=4430&filter.purchasability=annotated

Embed Link to Results