UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4095647
4095647
4095649
4095649
1532049
1532049

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Popular Name: D-Galactose D-Galactose

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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) -3.50 -8.81 -15.78 5 6 0 118 180.156 5 ↓
Ref Reference (pH 7) -2.64 -9.2 -12.68 5 6 0 118 180.156 5 ↓
Hi High (pH 8-9.5) -3.50 -8.06 -56.02 4 6 -1 121 179.148 5 ↓

Analogs

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Popular Name: Butylhydrazine oxalate Butylhydrazine oxalate

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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

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Popular Name: 1H-Indazole-7-carbonitrile 1H-Indazole-7-carbonitrile

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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) 1.33 3.59 -8.96 1 3 0 52 143.149 0 ↓
Ref Reference (pH 7) 1.33 3.65 -14.84 1 3 0 52 143.149 0 ↓

Analogs

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Popular Name: 5-Bromo-2-nitrophenol 5-Bromo-2-nitrophenol

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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

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Popular Name: (S)-2-(Methoxymethyl)pyrrolidin-1-amine (S)-2-(Methoxymethyl)pyrrolidin-…

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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

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

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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

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Popular Name: 2- -N-HYDROXY-ACETAMIDINE 2- -N-HYDROXY-ACETAMIDINE

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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) 1.39 1.91 -7.52 3 3 0 59 186.161 2 ↓

Analogs

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

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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

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

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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

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

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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

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

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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

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

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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

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

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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

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

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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

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

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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

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Popular Name: 2,4-Dimethylbenzaldehyde oxime 2,4-Dimethylbenzaldehyde oxime

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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) 2.36 3.86 -3.28 0 2 0 29 149.193 2 ↓
Ref Reference (pH 7) 3.18 3.92 -4.68 1 2 0 33 149.193 1 ↓

Analogs

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

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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

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

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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

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Popular Name: [2-(4-methoxyphenyl)ethyl]hydrazine dihydrochloride [2-(4-methoxyphenyl)ethyl]hydraz…

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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

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

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
S6A11-1-E GABA Transporter 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 2000 1.00 Binding ≤ 10μM
S6A12-1-E Betaine Transporter (cluster #1 Of 2), Eukaryotic Eukaryotes 2000 1.00 Binding ≤ 10μM
S6A13-1-E GABA Transporter 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 2000 1.00 Binding ≤ 10μM
SC6A1-2-E GABA Transporter 1 (cluster #2 Of 2), Eukaryotic Eukaryotes 2000 1.00 Binding ≤ 10μM
Z104301-2-O GABA-A Receptor; Anion Channel (cluster #2 Of 8), Other Other 33 1.31 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104301 Z104301 GABA-A Receptor; Anion Channel 33 1.31 Binding ≤ 1μM
S6A12_RAT P48056 Betaine Transporter, Rat 2000 1.00 Binding ≤ 10μM
SC6A1_RAT P23978 GABA Transporter 1, Rat 2000 1.00 Binding ≤ 10μM
S6A13_RAT P31646 GABA Transporter 2, Rat 2000 1.00 Binding ≤ 10μM
S6A11_RAT P31647 GABA Transporter 3, Rat 2000 1.00 Binding ≤ 10μM
Z104301 Z104301 GABA-A Receptor; Anion Channel 33 1.31 Binding ≤ 10μM

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

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Popular Name: N-(4-Oxo-4,5-dihydro-1,3-thiazol-2-yl)guanidine N-(4-Oxo-4,5-dihydro-1,3-thiazol…

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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) -1.34 0.77 -11.73 4 5 0 94 158.186 1 ↓
Ref Reference (pH 7) -1.21 0.49 -10.13 5 5 0 93 159.194 1 ↓
Hi High (pH 8-9.5) -1.34 0.38 -36.77 3 5 -1 91 157.178 1 ↓

Analogs

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Popular Name: (1S,3R)-3-hydrazino-1,7-dimethyl-indan-4-ol (1S,3R)-3-hydrazino-1,7-dimethyl…

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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

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Popular Name: (1R,3R)-3-hydrazino-1,7-dimethyl-indan-4-ol (1R,3R)-3-hydrazino-1,7-dimethyl…

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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

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Popular Name: (1S,3S)-3-hydrazino-1,7-dimethyl-indan-4-ol (1S,3S)-3-hydrazino-1,7-dimethyl…

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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

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Popular Name: (1R,3S)-3-hydrazino-1,7-dimethyl-indan-4-ol (1R,3S)-3-hydrazino-1,7-dimethyl…

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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

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Popular Name: 1-(2-(naphthalen-3-yl)ethyl)hydrazine 1-(2-(naphthalen-3-yl)ethyl)hydr…

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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) 1.64 5.57 -44.42 4 2 1 43 187.266 3 ↓
Hi High (pH 8-9.5) 1.64 5.01 -5.32 3 2 0 38 186.258 3 ↓
Mid Mid (pH 6-8) 1.64 4.82 -45.73 4 2 1 40 187.266 3 ↓

Analogs

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Popular Name: 4-hydrazinylpiperidine dihydrochloride 4-hydrazinylpiperidine dihydroch…

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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

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Popular Name: 5-(3,4-Dimethoxy-phenyl)-2H-pyrazol-3-ylamine 5-(3,4-Dimethoxy-phenyl)-2H-pyra…

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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

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Popular Name: 1-((2-methylfuran-3-yl)methyl)hydrazine 1-((2-methylfuran-3-yl)methyl)hy…

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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

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Popular Name: tetrahydro-3-thienylhydrazine tetrahydro-3-thienylhydrazine

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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

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Popular Name: tetrahydro-3-thienylhydrazine tetrahydro-3-thienylhydrazine

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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

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Popular Name: 4-Methoxy-2-quinolinecarboxylic acid 4-Methoxy-2-quinolinecarboxylic …

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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

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Popular Name: 5-(4-Ethoxyphenyl)-2H-pyrazol-3-ylamine 5-(4-Ethoxyphenyl)-2H-pyrazol-3-…

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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) 2.03 3.57 -7.68 3 4 0 64 203.245 3 ↓
Ref Reference (pH 7) 2.03 3.57 -7 3 4 0 64 203.245 3 ↓
Mid Mid (pH 6-8) 2.03 3.67 -33.97 4 4 1 65 204.253 3 ↓

Analogs

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Popular Name: (Tetrahydro-2H-pyran-4-yl)hydrazine (Tetrahydro-2H-pyran-4-yl)hydrazine

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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) 1.85 5.76 -19.81 1 4 0 60 212.245 5 ↓

Analogs

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Popular Name: 1-(thiophen-3-ylmethyl)hydrazine 1-(thiophen-3-ylmethyl)hydrazine

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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

26511665
26511665

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Popular Name: 5-Pyridin-3-yl-2H-pyrazol-3-ylamine 5-Pyridin-3-yl-2H-pyrazol-3-ylamine

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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) 0.53 1.58 -7.74 3 4 0 68 160.18 1 ↓
Hi High (pH 8-9.5) 0.05 2.01 -12.42 2 4 0 64 160.18 1 ↓
Mid Mid (pH 6-8) 0.53 1.54 -7.53 3 4 0 68 160.18 1 ↓

Analogs

39955192
39955192

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Popular Name: 5-(3-Trifluoromethylphenyl)-2H-pyrazol-3-ylamine 5-(3-Trifluoromethylphenyl)-2H-p…

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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) 2.47 4.35 -8.43 3 3 0 55 227.189 2 ↓
Ref Reference (pH 7) 2.16 4.89 -40.16 3 3 1 52 228.197 2 ↓
Mid Mid (pH 6-8) 2.47 4.33 -7.26 3 3 0 55 227.189 2 ↓

Analogs

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Popular Name: 1,2,3,4-Tetrahydro-2,7-naphthyridine 1,2,3,4-Tetrahydro-2,7-naphthyri…

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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) 2.96 7.04 -31.07 3 3 1 38 292.406 2 ↓

Analogs

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Popular Name: 2-(5-amino-1H-pyrazol-3-yl)phenol 2-(5-amino-1H-pyrazol-3-yl)phenol

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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 2.05 -26.95 4 4 0 75 175.191 0 ↓

Analogs

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Popular Name: 5-naphthalen-1-yl-2h-pyrazol-3-ylamine 5-naphthalen-1-yl-2h-pyrazol-3-y…

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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) 2.76 5.66 -7.13 3 3 0 55 209.252 1 ↓
Ref Reference (pH 7) 2.76 5.66 -8.9 3 3 0 55 209.252 1 ↓
Lo Low (pH 4.5-6) 2.76 5.79 -28.72 4 3 1 56 210.26 1 ↓

Analogs

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Popular Name: (1,1-Dioxidotetrahydro-3-thienyl)hydrazine hydrochloride (1,1-Dioxidotetrahydro-3-thienyl…

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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

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Popular Name: (1,1-Dioxidotetrahydro-3-thienyl)hydrazine hydrochloride (1,1-Dioxidotetrahydro-3-thienyl…

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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

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Popular Name: 5-(2-methoxyphenyl)-1H-pyrazol-3-amine 5-(2-methoxyphenyl)-1H-pyrazol-3…

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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) 1.61 2.83 -7.57 3 4 0 64 189.218 2 ↓
Ref Reference (pH 7) 1.61 2.95 -9.73 3 4 0 64 189.218 2 ↓
Lo Low (pH 4.5-6) 1.61 2.98 -25.68 4 4 1 65 190.226 2 ↓

Analogs

34976168
34976168

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Popular Name: 3-(3-nitrophenyl)-1H-pyrazol-5-amine 3-(3-nitrophenyl)-1H-pyrazol-5-a…

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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) 1.53 4.07 -12.5 3 6 0 101 204.189 2 ↓
Mid Mid (pH 6-8) 1.53 4.04 -11.05 3 6 0 101 204.189 2 ↓

Analogs

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Popular Name: 1-[3-(3-methylphenoxy)propyl]hydrazine 1-[3-(3-methylphenoxy)propyl]hyd…

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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) 1.03 3.59 -41.72 4 3 1 52 181.259 5 ↓
Mid Mid (pH 6-8) 1.03 2.83 -45.98 4 3 1 49 181.259 5 ↓
Mid Mid (pH 6-8) 1.03 3.04 -5.26 3 3 0 47 180.251 5 ↓

Analogs

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Popular Name: [2-(3,4-Dichloro-phenyl)-ethyl]-hydrazinehydrochloride [2-(3,4-Dichloro-phenyl)-ethyl]-…

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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

26511844
26511844

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Popular Name: 5-(3-methoxy-phenyl)-2h-pyrazol-3-ylamine 5-(3-methoxy-phenyl)-2h-pyrazol-…

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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) 1.63 2.64 -7.58 3 4 0 64 189.218 2 ↓
Ref Reference (pH 7) 1.63 2.66 -9.65 3 4 0 64 189.218 2 ↓
Lo Low (pH 4.5-6) 1.63 2.78 -29.1 4 4 1 65 190.226 2 ↓

Analogs

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Popular Name: 3-(3-bromophenyl)-1H-pyrazol-5-amine 3-(3-bromophenyl)-1H-pyrazol-5-a…

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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 3.97 -6.19 3 3 0 55 238.088 1 ↓
Ref Reference (pH 7) 2.07 4.51 -34.31 3 3 1 52 239.096 1 ↓
Mid Mid (pH 6-8) 2.38 3.95 -6.07 3 3 0 55 238.088 1 ↓

Analogs

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Popular Name: 5-(3-Chlorophenyl)-1H-pyrazol-3-amine 5-(3-Chlorophenyl)-1H-pyrazol-3-…

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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-(3,4-dichlorophenyl)-1H-pyrazol-5-amine 3-(3,4-dichlorophenyl)-1H-pyrazo…

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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) 2.88 4.33 -5.74 3 3 0 55 228.082 1 ↓
Ref Reference (pH 7) 2.88 4.31 -6.14 3 3 0 55 228.082 1 ↓
Lo Low (pH 4.5-6) 2.88 4.39 -36.77 4 3 1 56 229.09 1 ↓

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