UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: L-ASCORBIC ACID-2-PHOSPHATE MAGNESIUM SALT L-ASCORBIC ACID-2-PHOSPHATE MAGN…

Find On: PubMed — Wikipedia — Google

Vendors

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) -4.59 -3.5 -11.32 2 9 0 156 254.087 4 ↓
Ref Reference (pH 7) -1.93 -6.93 -238.98 3 9 -3 169 253.079 4 ↓
Mid Mid (pH 6-8) -1.93 -8.07 -117.79 4 9 -2 166 254.087 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Phosphonoacetic acid Phosphonoacetic acid

Find On: PubMed — Wikipedia — Google

Vendors

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) -1.70 -0.64 -115.99 1 5 -2 100 138.015 2 ↓
Mid Mid (pH 6-8) -1.70 0.47 -223.24 0 5 -3 103 137.007 2 ↓

Analogs

12495043
12495043
16343477
16343477
24973143
24973143
12494625
12494625

Draw Identity 99% 90% 80% 70%

Popular Name: farnesyl pyrophosphate farnesyl pyrophosphate

Find On: PubMed — Wikipedia — Google

Vendors

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

Analogs

8215517
8215517

Draw Identity 99% 90% 80% 70%

Popular Name: Cocarboxylase Cocarboxylase

Find On: PubMed — Wikipedia — Google

Vendors

And 5 More

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

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: DIHYDROXYACETONE PHOSPHATE DIHYDROXYACETONE PHOSPHATE

Find On: PubMed — Wikipedia — Google

Vendors

And 5 More

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) -1.77 -3.12 -135.84 2 6 -2 113 168.041 3 ↓
Ref Reference (pH 7) -2.45 -1.03 -138.28 1 6 -2 110 168.041 4 ↓
Ref Reference (pH 7) -1.81 -1.29 -130.45 1 6 -2 110 168.041 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: IDP IDP

Find On: PubMed — Wikipedia — Google

Vendors

And 6 More

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

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Inosine-5'-triphosphate trisodium salt Inosine-5'-triphosphate trisodiu…

Find On: PubMed — Wikipedia — Google

Vendors

And 2 More

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

Analogs

31308647
31308647
31308651
31308651
35000839
35000839
35000840
35000840
35000842
35000842

Draw Identity 99% 90% 80% 70%

Popular Name: Guanosine diphosphate Guanosine diphosphate

Find On: PubMed — Wikipedia — Google

Vendors

And 13 More

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

Analogs

12402869
12402869

Draw Identity 99% 90% 80% 70%

Popular Name: GTP GTP

Find On: PubMed — Wikipedia — Google

Vendors

And 2 More

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

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Guanosine triphosphate Guanosine triphosphate

Find On: PubMed — Wikipedia — Google

Vendors

And 2 More

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) -4.22 -7.52 -180.6 6 19 -3 308 520.157 8 ↓
Mid Mid (pH 6-8) -4.53 -4.25 -237.08 6 19 -3 308 520.157 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: CDP CDP

Find On: PubMed — Wikipedia — Google

Vendors

And 13 More

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

Analogs

19850119
19850119
13431057
13431057
13431059
13431059

Draw Identity 99% 90% 80% 70%

Popular Name: Cytidine-5'-triphosphate disodium salt Cytidine-5'-triphosphate disodiu…

Find On: PubMed — Wikipedia — Google

Vendors

And 23 More

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

Analogs

13431057
13431057
13431059
13431059
13431061
13431061
13431062
13431062
19850119
19850119

Draw Identity 99% 90% 80% 70%

Popular Name: Cytidine-5'-triphosphate disodium salt Cytidine-5'-triphosphate disodiu…

Find On: PubMed — Wikipedia — Google

Vendors

And 23 More

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

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Cytidine-5'-triphosphate disodium salt Cytidine-5'-triphosphate disodiu…

Find On: PubMed — Wikipedia — Google

Vendors

And 25 More

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

Analogs

33979243
33979243
33979244
33979244
33979245
33979245
33979246
33979246
8215882
8215882

Draw Identity 99% 90% 80% 70%

Popular Name: dTDP dTDP

Find On: PubMed — Wikipedia — Google

Vendors

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

Analogs

12495073
12495073
13516860
13516860
13519459
13519459
33979251
33979251
33979252
33979252

Draw Identity 99% 90% 80% 70%

Popular Name: DTTP DTTP

Find On: PubMed — Wikipedia — Google

Vendors

And 3 More

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

Analogs

12495073
12495073
13516860
13516860
13519459
13519459
33979251
33979251
33979252
33979252

Draw Identity 99% 90% 80% 70%

Popular Name: DTTP DTTP

Find On: PubMed — Wikipedia — Google

Vendors

And 3 More

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

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: DTTP DTTP

Find On: PubMed — Wikipedia — Google

Vendors

And 1 More

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

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Uridine 5'-diphosphate Uridine 5'-diphosphate

Find On: PubMed — Wikipedia — Google

Vendors

And 7 More

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

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Uridine-5'-triphosphoric acid trisodium salt Uridine-5'-triphosphoric acid tr…

Find On: PubMed — Wikipedia — Google

Vendors

And 25 More

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

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Uridine-5'-triphosphoric acid trisodium salt Uridine-5'-triphosphoric acid tr…

Find On: PubMed — Wikipedia — Google

Vendors

And 25 More

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

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ADP ADP

Find On: PubMed — Wikipedia — Google

Vendors

And 44 More

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
Hi High (pH 8-9.5) 3.79 9.28 -36.43 1 2 1 8 233.379 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Adenosine triphosphate Adenosine triphosphate

Find On: PubMed — Wikipedia — Google

Vendors

And 45 More

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

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Adenosine triphosphate Adenosine triphosphate

Find On: PubMed — Wikipedia — Google

Vendors

And 45 More

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

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Adenosine triphosphate Adenosine triphosphate

Find On: PubMed — Wikipedia — Google

Vendors

And 46 More

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

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Phosphorylcholine Phosphorylcholine

Find On: PubMed — Wikipedia — Google

Vendors

And 10 More

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) -3.93 2.3 -113.35 0 5 -1 72 182.136 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-Phosphoglyceric acid 2-Phosphoglyceric acid

Find On: PubMed — Wikipedia — Google

Vendors

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 -1.39 -227.43 1 7 -3 133 183.032 4 ↓
Mid Mid (pH 6-8) -2.38 -2.53 -113.57 2 7 -2 130 184.04 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Foscarnet sodium Foscarnet sodium

Find On: PubMed — Wikipedia — Google

Vendors

And 4 More

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) -1.71 -2.5 -120.9 1 5 -2 100 123.988 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Sodium creatine phosphate hydrate Sodium creatine phosphate hydrate

Find On: PubMed — Wikipedia — Google

Vendors

And 33 More

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) -3.16 -1.64 -123.1 3 8 -2 144 209.098 5 ↓

Analogs

30725927
30725927
4096363
4096363
4097100
4097100
3870071
3870071

Draw Identity 99% 90% 80% 70%

Popular Name: N-Acetyl-D-Glucosamine 6-Phosphate N-Acetyl-D-Glucosamine 6-Phosphate

Find On: PubMed — Wikipedia — Google

Vendors

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 -9.99 -142.09 4 10 -2 171 299.172 4 ↓

Analogs

4097101
4097101
30725927
30725927
4096363
4096363
3870071
3870071
3870072
3870072

Draw Identity 99% 90% 80% 70%

Popular Name: N-Acetyl-D-Glucosamine 6-Phosphate N-Acetyl-D-Glucosamine 6-Phosphate

Find On: PubMed — Wikipedia — Google

Vendors

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 -10.22 -137.87 4 10 -2 171 299.172 4 ↓

Analogs

4096362
4096362

Draw Identity 99% 90% 80% 70%

Popular Name: N-Acetyl-glucosamine 1-phosphate N-Acetyl-glucosamine 1-phosphate

Find On: PubMed — Wikipedia — Google

Vendors

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 -10.63 -151.53 4 10 -2 171 299.172 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N(omega)-phospho-L-arginine N(omega)-phospho-L-arginine

Find On: PubMed — Wikipedia — Google

Vendors

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) -3.38 -6.71 -120.99 7 9 -1 180 253.175 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Thiamine monophosphate Thiamine monophosphate

Find On: PubMed — Wikipedia — Google

Vendors

And 3 More

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) -4.11 4.51 -121.31 2 8 -1 128 343.325 6 ↓
Mid Mid (pH 6-8) -4.11 3.36 -49.82 3 8 0 125 344.333 6 ↓
Lo Low (pH 4.5-6) -4.11 3.81 -98.96 4 8 1 127 345.341 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: D-Fructose 2,6-bisphosphate D-Fructose 2,6-bisphosphate

Find On: PubMed — Wikipedia — Google

Vendors

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) -3.37 -6.99 -324.8 3 12 -4 215 336.082 6 ↓
Mid Mid (pH 6-8) -3.37 -8.15 -209.63 4 12 -3 212 337.09 6 ↓
Lo Low (pH 4.5-6) -3.37 -9.05 -117.34 5 12 -2 209 338.098 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Pyridoxal phosphate Pyridoxal phosphate

Find On: PubMed — Wikipedia — Google

Vendors

And 28 More

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) -0.76 0.89 -129.43 1 7 -2 123 245.127 4 ↓
Hi High (pH 8-9.5) -0.76 1.89 -195.99 0 7 -3 125 244.119 4 ↓
Mid Mid (pH 6-8) -0.76 -0.27 -42.2 2 7 -1 120 246.135 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Cyclohexanamine 2-(phosphonooxy)acrylate Cyclohexanamine 2-(phosphonooxy)…

Find On: PubMed — Wikipedia — Google

Vendors

And 51 More

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 1.7 -214.18 0 6 -3 113 165.017 3 ↓
Mid Mid (pH 6-8) -0.80 0.53 -102.67 1 6 -2 110 166.025 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: D-ap3 D-ap3

Find On: PubMed — Wikipedia — Google

Vendors

And 4 More

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) -4.26 -2.26 -49.62 4 6 -1 128 168.065 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Aminophosphonopropionic acid Aminophosphonopropionic acid

Find On: PubMed — Wikipedia — Google

Vendors

And 4 More

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) -4.26 -2.32 -49.76 4 6 -1 128 168.065 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Glyphosate Glyphosate

Find On: PubMed — Wikipedia — Google

Vendors

And 24 More

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) -2.84 -0.07 -110.02 2 6 -2 120 167.057 4 ↓
Lo Low (pH 4.5-6) -2.84 -1.18 -47.65 3 6 -1 117 168.065 4 ↓

Analogs

12494630
12494630
12495043
12495043
12495048
12495048
16343477
16343477
24973143
24973143

Draw Identity 99% 90% 80% 70%

Popular Name: farnesyl pyrophosphate farnesyl pyrophosphate

Find On: PubMed — Wikipedia — Google

Vendors

And 1 More

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) 3.37 9.67 -242.08 0 7 -3 122 379.306 11 ↓
Mid Mid (pH 6-8) 3.37 8.53 -122.03 1 7 -2 119 380.314 11 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Farnesyl Monophosphate-DA Farnesyl Monophosphate-DA

Find On: PubMed — Wikipedia — Google

Vendors

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) 4.38 2.51 -134.92 0 4 -2 72 300.335 9 ↓

Analogs

12501438
12501438

Draw Identity 99% 90% 80% 70%

Popular Name: Cocarboxylase Cocarboxylase

Find On: PubMed — Wikipedia — Google

Vendors

And 6 More

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) -4.75 4.38 -217.61 2 11 -2 177 422.296 8 ↓
Mid Mid (pH 6-8) -4.75 3.22 -112.63 3 11 -1 175 423.304 8 ↓
Lo Low (pH 4.5-6) -4.75 3.67 -154.1 4 11 0 176 424.312 8 ↓

Analogs

5785202
5785202

Draw Identity 99% 90% 80% 70%

Popular Name: 4-Nitrophenyl phosphate disodium salt hexahydrate 4-Nitrophenyl phosphate disodium…

Find On: PubMed — Wikipedia — Google

Vendors

And 57 More

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) 0.67 4.09 -121.92 0 7 -2 118 217.073 3 ↓

Analogs

8551105
8551105
8551106
8551106
8551107
8551107
8551108
8551108

Draw Identity 99% 90% 80% 70%

Popular Name: Flavin Mononucleotide Flavin Mononucleotide

Find On: PubMed — Wikipedia — Google

Vendors

And 18 More

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 -10.48 -149.68 4 13 -2 213 454.332 7 ↓

Analogs

1655964
1655964

Draw Identity 99% 90% 80% 70%

Popular Name: Benzyl dihydrogen phosphate Benzyl dihydrogen phosphate

Find On: PubMed — Wikipedia — Google

Vendors

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) 0.61 3.8 -137.26 0 4 -2 72 186.103 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-Aminoethyl dihydrogen phosphate 2-Aminoethyl dihydrogen phosphate

Find On: PubMed — Wikipedia — Google

Vendors

And 13 More

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 -3.36 -116.8 3 5 -1 100 140.055 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: D-Glyceraldehyde 3-phosphate D-Glyceraldehyde 3-phosphate

Find On: PubMed — Wikipedia — Google

Vendors

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) -1.81 -1.91 -130.51 1 6 -2 109 168.041 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Sodium 1,3-dihydroxypropan-2-yl phosphate Sodium 1,3-dihydroxypropan-2-yl …

Find On: PubMed — Wikipedia — Google

Vendors

And 29 More

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) -2.26 -3.31 -137.8 2 6 -2 113 170.057 4 ↓
Mid Mid (pH 6-8) -2.26 -4.46 -46.79 3 6 -1 110 171.065 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-Phosphoglyceric acid 3-Phosphoglyceric acid

Find On: PubMed — Wikipedia — Google

Vendors

And 3 More

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 -0.86 -203.04 1 7 -3 133 183.032 4 ↓
Mid Mid (pH 6-8) -2.38 -2.02 -98.17 2 7 -2 130 184.04 4 ↓

Parameters Provided:

page.format = basic
page.num = 1
catalog.name = efihad
filter.purchasability = purchasable

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  WHERE c.free = 1 AND c.short_name LIKE 'efihad' AND ci.sub_id_fk IN (SELECT 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  WHERE c.free = 1 AND c.purchasable IN (1,2,4,5)   )    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?catalog.name=efihad&filter.purchasability=purchasable

Embed Link to Results