UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1H-INDAZOLE-6-CARBOXYLIC ACID,3-BROMO-,METHYL ESTE 1H-INDAZOLE-6-CARBOXYLIC ACID,3-…

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) 2.71 4.3 -7.22 1 4 0 55 255.071 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1[furan-2-yl(phenyl)methyl]hydrazine 1[furan-2-yl(phenyl)methyl]hydra…

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

Draw Identity 99% 90% 80% 70%

Popular Name: 1[furan-2-yl(phenyl)methyl]hydrazine 1[furan-2-yl(phenyl)methyl]hydra…

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

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(hydrazinylmethyl)-5-methylpyrazine 2-(hydrazinylmethyl)-5-methylpyr…

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

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(4-chlorophenyl)ethyl]hydrazine [2-(4-chlorophenyl)ethyl]hydrazine

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

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dibromo-4-methoxybenzamidine 3,5-dibromo-4-methoxybenzamidine

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) 1.85 3.14 -37.22 4 3 1 61 308.981 2 ↓

Analogs

15442613
15442613

Draw Identity 99% 90% 80% 70%

Popular Name: n-boc-2-fluoro-d-tyrosine n-boc-2-fluoro-d-tyrosine

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) 2.12 4.28 -52.05 2 6 -1 99 298.29 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-hydrazinyl-4-methoxybenzenesulfonic acid 3-hydrazinyl-4-methoxybenzenesul…

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) -1.84 -2.35 -46.52 3 6 -1 104 217.226 3 ↓
Lo Low (pH 4.5-6) -1.84 -2.53 -60.66 4 6 0 106 218.234 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Butylhydrazine oxalate Butylhydrazine oxalate

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: 3-NITROBENZAMIDOXIME 3-NITROBENZAMIDOXIME

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) 1.05 1 -6.73 2 6 0 101 181.151 3 ↓
Lo Low (pH 4.5-6) 1.05 1.24 -55.61 3 6 1 103 182.159 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-NITROBENZAMIDOXIME 3-NITROBENZAMIDOXIME

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) 1.05 0.92 -8.48 2 6 0 101 181.151 3 ↓
Lo Low (pH 4.5-6) 1.05 1.24 -55.61 3 6 1 103 182.159 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2-hydrazinylpropyl)phenolate 4-(2-hydrazinylpropyl)phenolate

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) 0.30 0.48 -44.54 5 3 1 60 167.232 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2-hydrazinylpropyl)phenolate 4-(2-hydrazinylpropyl)phenolate

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) 0.30 0.43 -41.82 5 3 1 60 167.232 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(bromomethyl)-3,5-diethoxybenzene 1-(bromomethyl)-3,5-diethoxybenzene

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) 3.44 6.35 -4.59 0 2 0 18 259.143 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: BENZENEETHANIMIDAMIDE,N-HYDROXY-3-METHOXY- BENZENEETHANIMIDAMIDE,N-HYDROXY-…

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) -1.97 -7.02 -18.85 5 10 0 157 287.228 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: BENZENEETHANIMIDAMIDE,N-HYDROXY-3-METHOXY- BENZENEETHANIMIDAMIDE,N-HYDROXY-…

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) -1.97 -7.26 -17.97 5 10 0 157 287.228 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Methyl 3-bromoindazole-6-carboxylate Methyl 3-bromoindazole-6-carboxy…

Find On: PubMed — Wikipedia — Google

Vendors

And 9 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) 2.71 4.25 -6.17 1 4 0 55 255.071 2 ↓

Analogs

39051502
39051502

Draw Identity 99% 90% 80% 70%

Popular Name: 4-quinoline carboxaldehyde,oxime 4-quinoline carboxaldehyde,oxime

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) 2.59 2.54 -8.61 1 3 0 45 172.187 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-METHOXYBENZAMIDOXIME 3-METHOXYBENZAMIDOXIME

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) 1.15 -0.51 -5.66 2 4 0 65 166.18 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-METHOXYBENZAMIDOXIME 3-METHOXYBENZAMIDOXIME

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) 1.15 -0.42 -4.81 2 4 0 65 166.18 3 ↓
Mid Mid (pH 6-8) 1.15 -0.18 -43.17 3 4 1 66 167.188 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Amidox Amidox

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) -0.72 -3.55 -10.12 5 5 0 99 168.152 1 ↓
Ref Reference (pH 7) -0.72 -3.74 -9.77 5 5 0 99 168.152 1 ↓
Mid Mid (pH 6-8) -0.79 -1.56 -98.64 4 5 -1 98 167.144 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1H-INDENE-2-ACETIC ACID,2,3-DIHYDRO-,ETHYL ESTER 1H-INDENE-2-ACETIC ACID,2,3-DIHY…

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) 2.68 8.62 -5.46 0 2 0 26 204.269 4 ↓

Analogs

33769681
33769681

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3,5-bis(trifluoromethyl)phenyl]-N'-hydroxyethanimidamide 2-[3,5-bis(trifluoromethyl)pheny…

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) 2.85 4.1 -8.15 3 3 0 59 286.175 4 ↓
Ref Reference (pH 7) 2.85 3.77 -7.25 3 3 0 59 286.175 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-Propanone,1-(3-fluorophenyl)-,oxime 2-Propanone,1-(3-fluorophenyl)-,…

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) 3.84 6.76 -15.17 2 3 0 41 359.344 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,6-DICHLORO-BENZYL)-GUANIDINE N-(2,6-DICHLORO-BENZYL)-GUANIDINE

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 4.55 -27.94 5 3 1 66 219.095 2 ↓
Ref Reference (pH 7) 1.83 4.5 -28.69 5 3 1 64 219.095 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-AMINO-4-BROMO-5-METHYLBENZONITRILE 3-AMINO-4-BROMO-5-METHYLBENZONIT…

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) 2.29 4.03 -4.26 2 2 0 50 211.062 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-Propanone,1-(2-methylphenyl)-,oxime 2-Propanone,1-(2-methylphenyl)-,…

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) 4.84 7.11 -13.35 2 7 0 96 370.416 4 ↓
Mid Mid (pH 6-8) 4.84 6.75 -52.99 1 7 -1 98 369.408 4 ↓
Mid Mid (pH 6-8) 4.84 7.88 -50.68 1 7 -1 98 369.408 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-Propanone,1-(4-methylphenyl)-,oxime 2-Propanone,1-(4-methylphenyl)-,…

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) 1.01 5.9 -15.47 1 4 0 71 316.397 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-Propanone,1-(4-methylphenyl)-,oxime 2-Propanone,1-(4-methylphenyl)-,…

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) 1.01 5.79 -14.11 1 4 0 71 316.397 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-Propanone,1-(4-methylphenyl)-,oxime 2-Propanone,1-(4-methylphenyl)-,…

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) 1.01 5.38 -12.83 1 4 0 71 316.397 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-Propanone,1-(4-methylphenyl)-,oxime 2-Propanone,1-(4-methylphenyl)-,…

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) 1.01 5.45 -12.4 1 4 0 71 316.397 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,3,5-trifluorophenyl)ethanol 2-(2,3,5-trifluorophenyl)ethanol

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) 1.83 2.75 -4.31 1 1 0 20 176.137 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-NAPHTHALENECARBONYL CHLORIDE,3-HYDROXY- 2-NAPHTHALENECARBONYL CHLORIDE,3…

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) 3.49 5.61 -6.61 1 2 0 37 206.628 1 ↓
Hi High (pH 8-9.5) 3.49 6.6 -47.72 0 2 -1 40 205.62 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,6-difluoro-4-methoxyphenyl)ethanol 2-(2,6-difluoro-4-methoxyphenyl)…

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) 1.73 1.94 -4.54 1 2 0 29 188.173 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: {[4-(Hydrazinylmethyl)phenyl]methyl}hydrazine {[4-(Hydrazinylmethyl)phenyl]met…

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) -1.84 -0.71 -46.93 7 4 1 78 167.236 4 ↓
Mid Mid (pH 6-8) -1.84 0.05 -42.15 7 4 1 81 167.236 4 ↓
Mid Mid (pH 6-8) -1.84 -0.16 -91.26 8 4 2 82 168.244 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-(thiophen-2-yl)ethyl)hydrazine 1-(2-(thiophen-2-yl)ethyl)hydrazine

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) 0.35 2.43 -41.78 4 2 1 43 143.235 3 ↓
Mid Mid (pH 6-8) 0.35 1.67 -43.77 4 2 1 40 143.235 3 ↓
Mid Mid (pH 6-8) 0.35 1.86 -4.38 3 2 0 38 142.227 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2,5-dimethylfuran-3-yl)methyl]hydrazine 1-[(2,5-dimethylfuran-3-yl)methy…

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) -0.56 2.15 -38.96 4 3 1 56 141.194 2 ↓
Mid Mid (pH 6-8) -0.56 1.37 -46.85 4 3 1 53 141.194 2 ↓
Mid Mid (pH 6-8) -0.56 1.57 -4.71 3 3 0 51 140.186 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-HYDROXY-1H-INDOLE-3-CARBOXIMIDOYL CHLORIDE N-HYDROXY-1H-INDOLE-3-CARBOXIMID…

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) 2.21 2.11 -15.42 2 3 0 45 194.621 1 ↓
Hi High (pH 8-9.5) 2.27 3.82 -55.03 1 3 -1 51 193.613 1 ↓
Hi High (pH 8-9.5) 2.21 3.13 -38.49 1 3 -1 48 193.613 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(2-methylphenyl)ethyl]hydrazine 1-[2-(2-methylphenyl)ethyl]hydra…

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) 0.85 3.83 -42.36 4 2 1 43 151.233 3 ↓
Mid Mid (pH 6-8) 0.85 3.07 -44.12 4 2 1 40 151.233 3 ↓
Mid Mid (pH 6-8) 0.85 3.26 -4.11 3 2 0 38 150.225 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1[furan-2-yl(phenyl)methyl]hydrazine 1[furan-2-yl(phenyl)methyl]hydra…

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) 1.08 3.91 -40.85 4 3 1 53 189.238 3 ↓
Mid Mid (pH 6-8) 1.08 4.52 -37.36 4 3 1 56 189.238 3 ↓
Mid Mid (pH 6-8) 1.08 4.09 -4.74 3 3 0 51 188.23 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1[furan-2-yl(phenyl)methyl]hydrazine 1[furan-2-yl(phenyl)methyl]hydra…

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) 1.08 3.81 -37.37 4 3 1 53 189.238 3 ↓
Mid Mid (pH 6-8) 1.08 4.53 -37.36 4 3 1 56 189.238 3 ↓
Mid Mid (pH 6-8) 1.08 3.95 -4.66 3 3 0 51 188.23 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-(2-chloroethyl)phenethyl)isoindoline-1,3-dion 2-(4-(2-chloroethyl)phenethyl)is…

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) 4.11 10.6 -8.95 0 3 0 39 313.784 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(hydrazinylmethyl)-5-methylpyrazine 2-(hydrazinylmethyl)-5-methylpyr…

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) -1.20 -1.32 -48.68 4 4 1 65 139.182 2 ↓
Mid Mid (pH 6-8) -1.20 -0.55 -41.28 4 4 1 68 139.182 2 ↓
Mid Mid (pH 6-8) -1.20 -1.11 -5.63 3 4 0 64 138.174 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-chloro-5-fluorobenzyl)hydrazine 1-(3-chloro-5-fluorobenzyl)hydra…

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) 0.82 2.37 -48.15 4 2 1 40 175.614 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(4-chlorophenyl)ethyl]hydrazine [2-(4-chlorophenyl)ethyl]hydrazine

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) 1.13 3.84 -44.84 4 2 1 43 171.651 3 ↓
Mid Mid (pH 6-8) 1.13 3.08 -45.81 4 2 1 40 171.651 3 ↓
Mid Mid (pH 6-8) 1.13 3.28 -4.04 3 2 0 38 170.643 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2-bromoethyl)-N,N-diethylbenzenamine 4-(2-bromoethyl)-N,N-diethylbenz…

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) 3.71 9.06 -14.59 1 1 0 4 257.195 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: tert-butyl 3 hydroxy-4-nitrobenzoate tert-butyl 3 hydroxy-4-nitrobenz…

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) 2.96 5.96 -7.82 1 6 0 92 239.227 4 ↓
Mid Mid (pH 6-8) 2.96 6.95 -42.9 0 6 -1 95 238.219 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(4-methoxyphenyl)ethyl]hydrazine 1-[2-(4-methoxyphenyl)ethyl]hydr…

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) 0.51 2.64 -44.22 4 3 1 52 167.232 4 ↓
Mid Mid (pH 6-8) 0.51 1.88 -45.89 4 3 1 49 167.232 4 ↓
Mid Mid (pH 6-8) 0.51 2.07 -5.35 3 3 0 47 166.224 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: DL-2,4-Diaminobutyric acid dihydrochloride DL-2,4-Diaminobutyric acid dihyd…

Find On: PubMed — Wikipedia — Google

Vendors

And 87 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) 2.50 6.11 -84.93 6 7 2 107 475.637 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6-chlorobenzo[d]oxazol-2-yl)guanidine (6-chlorobenzo[d]oxazol-2-yl)gua…

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) 5.10 15.43 -44.11 3 5 1 67 479.526 7 ↓
Hi High (pH 8-9.5) 5.10 14.91 -14.34 2 5 0 66 478.518 7 ↓

Parameters Provided:

page.format = basic
page.num = 1
catalog.name = struchembb-v
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 'struchembb-v' 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=struchembb-v&filter.purchasability=purchasable

Embed Link to Results