UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

6096699
6096699

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Popular Name: Benzidol Benzidol

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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) 2.19 -5.31 -12.11 2 5 0 67 298.342 6 ↓

Analogs

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Popular Name: 1-[(2,4,6-trimethylphenyl)methyl]indazol-6-amine 1-[(2,4,6-trimethylphenyl)methyl…

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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) 3.54 7.74 -7.5 2 3 0 44 265.36 2 ↓

Analogs

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Popular Name: 1-[(3-fluoro-4-methoxy-phenyl)methyl]indazol-6-amine 1-[(3-fluoro-4-methoxy-phenyl)me…

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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) 2.49 5.58 -11.32 2 4 0 53 271.295 3 ↓

Analogs

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Popular Name: 1-[[3-(trifluoromethyl)phenyl]methyl]indazol-6-amine 1-[[3-(trifluoromethyl)phenyl]me…

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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) 3.21 7.19 -8.83 2 3 0 44 291.276 3 ↓

Analogs

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Popular Name: 1-[(3-bromophenyl)methyl]indazol-6-amine 1-[(3-bromophenyl)methyl]indazol…

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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) 3.13 6.82 -7.89 2 3 0 44 302.175 2 ↓

Analogs

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Popular Name: 3-[(6-aminoindazol-1-yl)methyl]benzonitrile 3-[(6-aminoindazol-1-yl)methyl]b…

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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) 2.07 6.58 -10.76 2 4 0 68 248.289 2 ↓

Analogs

43458711
43458711

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Popular Name: 1-[(3-fluorophenyl)methyl]indazol-6-amine 1-[(3-fluorophenyl)methyl]indazo…

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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) 2.48 6.27 -8.86 2 3 0 44 241.269 2 ↓

Analogs

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Popular Name: 1-[(3-bromo-4-fluoro-phenyl)methyl]indazol-6-amine 1-[(3-bromo-4-fluoro-phenyl)meth…

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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) 3.24 6.86 -8.64 2 3 0 44 320.165 2 ↓

Analogs

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Popular Name: 1-[(2-bromo-5-fluoro-phenyl)methyl]indazol-6-amine 1-[(2-bromo-5-fluoro-phenyl)meth…

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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) 3.24 6.85 -6.95 2 3 0 44 320.165 2 ↓

Analogs

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Popular Name: 1-[(5-bromo-2-fluoro-phenyl)methyl]indazol-6-amine 1-[(5-bromo-2-fluoro-phenyl)meth…

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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) 3.24 6.67 -7.11 2 3 0 44 320.165 2 ↓

Analogs

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Popular Name: 1-[(3-methoxyphenyl)methyl]indazol-6-amine 1-[(3-methoxyphenyl)methyl]indaz…

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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) 2.37 5.5 -9.72 2 4 0 53 253.305 3 ↓

Analogs

43457256
43457256

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Popular Name: 1-[(4-methoxyphenyl)methyl]indazol-6-amine 1-[(4-methoxyphenyl)methyl]indaz…

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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) 2.40 5.5 -8.96 2 4 0 53 253.305 3 ↓

Analogs

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Popular Name: 1-[(3,4-dimethoxyphenyl)methyl]indazol-6-amine 1-[(3,4-dimethoxyphenyl)methyl]i…

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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) 1.99 5.4 -11.35 2 5 0 62 283.331 4 ↓

Analogs

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Popular Name: 1-[(4-bromo-2-fluoro-phenyl)methyl]indazol-6-amine 1-[(4-bromo-2-fluoro-phenyl)meth…

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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) 3.24 6.68 -7.02 2 3 0 44 320.165 2 ↓

Analogs

43458711
43458711

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Popular Name: 4-[(6-aminoindazol-1-yl)methyl]-3-fluoro-benzonitrile 4-[(6-aminoindazol-1-yl)methyl]-…

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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) 2.19 6.64 -11.62 2 4 0 68 266.279 2 ↓

Analogs

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Popular Name: 3-[(6-aminoindazol-1-yl)methyl]-4-fluoro-benzonitrile 3-[(6-aminoindazol-1-yl)methyl]-…

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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) 2.19 6.64 -10.12 2 4 0 68 266.279 2 ↓

Analogs

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Popular Name: 1-[(2-bromo-4-fluoro-phenyl)methyl]indazol-6-amine 1-[(2-bromo-4-fluoro-phenyl)meth…

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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) 3.24 6.85 -7.76 2 3 0 44 320.165 2 ↓

Analogs

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Popular Name: 1-[(2-chloro-4-fluoro-phenyl)methyl]indazol-6-amine 1-[(2-chloro-4-fluoro-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) 3.11 6.73 -8 2 3 0 44 275.714 2 ↓

Analogs

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Popular Name: 1-[(2-bromophenyl)methyl]indazol-6-amine 1-[(2-bromophenyl)methyl]indazol…

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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) 3.10 6.78 -7.99 2 3 0 44 302.175 2 ↓

Analogs

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Popular Name: 1-[(4-isopropylphenyl)methyl]indazol-6-amine 1-[(4-isopropylphenyl)methyl]ind…

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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) 3.85 8.13 -7.34 2 3 0 44 265.36 3 ↓

Analogs

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Popular Name: 1-[(5-chloro-2-methoxy-phenyl)methyl]indazol-6-amine 1-[(5-chloro-2-methoxy-phenyl)me…

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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) 3.00 6.26 -8.57 2 4 0 53 287.75 3 ↓

Analogs

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Popular Name: 1-[(2,4,6-trimethylphenyl)methyl]indazol-3-amine 1-[(2,4,6-trimethylphenyl)methyl…

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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) 4.10 8.79 -7.66 2 3 0 44 265.36 2 ↓

Analogs

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Popular Name: 1-[(2,6-dichlorophenyl)methyl]indazol-3-amine 1-[(2,6-dichlorophenyl)methyl]in…

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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) 4.16 7.9 -7.5 2 3 0 44 292.169 2 ↓

Analogs

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Popular Name: 1-[(3,4-dichlorophenyl)methyl]indazol-3-amine 1-[(3,4-dichlorophenyl)methyl]in…

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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) 4.18 8.24 -8.65 2 3 0 44 292.169 2 ↓

Analogs

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Popular Name: 1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-amine 1-[[3-(trifluoromethyl)phenyl]me…

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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) 3.77 8.29 -9.44 2 3 0 44 291.276 3 ↓

Analogs

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Popular Name: 1-[(2-bromophenyl)methyl]indazol-3-amine 1-[(2-bromophenyl)methyl]indazol…

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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) 3.66 7.84 -8.31 2 3 0 44 302.175 2 ↓

Analogs

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Popular Name: 1-[(5-bromo-2-fluoro-phenyl)methyl]indazol-3-amine 1-[(5-bromo-2-fluoro-phenyl)meth…

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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) 3.80 7.94 -8.37 2 3 0 44 320.165 2 ↓

Analogs

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Popular Name: 1-[(2-bromo-4-fluoro-phenyl)methyl]indazol-3-amine 1-[(2-bromo-4-fluoro-phenyl)meth…

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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) 3.80 7.91 -8.32 2 3 0 44 320.165 2 ↓

Analogs

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Popular Name: 1-[(3,4-dimethoxyphenyl)methyl]indazol-3-amine 1-[(3,4-dimethoxyphenyl)methyl]i…

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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) 2.54 6.46 -11.8 2 5 0 62 283.331 4 ↓

Analogs

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Popular Name: 1-[(2-fluorophenyl)methyl]indazol-3-amine 1-[(2-fluorophenyl)methyl]indazo…

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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) 3.01 7.11 -8.05 2 3 0 44 241.269 2 ↓

Analogs

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Popular Name: 1-[(4-tert-butylphenyl)methyl]indazol-3-amine 1-[(4-tert-butylphenyl)methyl]in…

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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) 4.60 9.59 -7.59 2 3 0 44 279.387 3 ↓

Analogs

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Popular Name: 1-[(4-chlorophenyl)methyl]indazol-3-amine 1-[(4-chlorophenyl)methyl]indazo…

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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) 3.57 7.79 -7.59 2 3 0 44 257.724 2 ↓

Analogs

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Popular Name: 1-[(3-chlorophenyl)methyl]indazol-3-amine 1-[(3-chlorophenyl)methyl]indazo…

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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) 3.55 7.78 -8.48 2 3 0 44 257.724 2 ↓

Analogs

15413762
15413762

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Popular Name: 1-[(2,4-dichlorophenyl)methyl]indazol-3-amine 1-[(2,4-dichlorophenyl)methyl]in…

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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) 4.18 8.23 -8.08 2 3 0 44 292.169 2 ↓

Analogs

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Popular Name: 1-[(3-bromophenyl)methyl]indazol-3-amine 1-[(3-bromophenyl)methyl]indazol…

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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) 3.68 7.89 -8.44 2 3 0 44 302.175 2 ↓

Analogs

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Popular Name: 1-[(3-fluorophenyl)methyl]indazol-3-amine 1-[(3-fluorophenyl)methyl]indazo…

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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) 3.04 7.34 -9.44 2 3 0 44 241.269 2 ↓

Analogs

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Popular Name: 1-(p-tolylmethyl)indazol-3-amine 1-(p-tolylmethyl)indazol-3-amine

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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) 3.34 7.95 -7.97 2 3 0 44 237.306 2 ↓

Analogs

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Popular Name: 1-[(4-fluorophenyl)methyl]indazol-3-amine 1-[(4-fluorophenyl)methyl]indazo…

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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) 3.06 7.34 -8.23 2 3 0 44 241.269 2 ↓

Analogs

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Popular Name: 1-(m-tolylmethyl)indazol-3-amine 1-(m-tolylmethyl)indazol-3-amine

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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) 3.32 7.94 -8.01 2 3 0 44 237.306 2 ↓

Analogs

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Popular Name: 1-(o-tolylmethyl)indazol-3-amine 1-(o-tolylmethyl)indazol-3-amine

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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) 3.30 7.85 -7.36 2 3 0 44 237.306 2 ↓

Analogs

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Popular Name: 1-[(4-bromophenyl)methyl]indazol-3-amine 1-[(4-bromophenyl)methyl]indazol…

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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) 3.70 7.9 -7.55 2 3 0 44 302.175 2 ↓

Analogs

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Popular Name: 1-[(2-chloro-4-fluoro-phenyl)methyl]indazol-3-amine 1-[(2-chloro-4-fluoro-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) 3.66 7.79 -8.61 2 3 0 44 275.714 2 ↓

Analogs

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Popular Name: 1-[(2-chlorophenyl)methyl]indazol-3-amine 1-[(2-chlorophenyl)methyl]indazo…

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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) 3.52 7.72 -8.64 2 3 0 44 257.724 2 ↓

Analogs

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Popular Name: 1-[(3-methoxyphenyl)methyl]indazol-3-amine 1-[(3-methoxyphenyl)methyl]indaz…

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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) 2.93 6.57 -10.24 2 4 0 53 253.305 3 ↓

Analogs

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Popular Name: 1-[(4-isopropylphenyl)methyl]indazol-3-amine 1-[(4-isopropylphenyl)methyl]ind…

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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) 4.41 9.2 -7.63 2 3 0 44 265.36 3 ↓

Analogs

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Popular Name: 1-[(3-fluoro-4-methoxy-phenyl)methyl]indazol-3-amine 1-[(3-fluoro-4-methoxy-phenyl)me…

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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) 3.04 6.63 -12.02 2 4 0 53 271.295 3 ↓

Analogs

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Popular Name: 1-[(4-bromo-2-fluoro-phenyl)methyl]indazol-3-amine 1-[(4-bromo-2-fluoro-phenyl)meth…

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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) 3.80 7.95 -9.64 2 3 0 44 320.165 2 ↓

Analogs

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Popular Name: 1-[(5-chloro-2-methoxy-phenyl)methyl]indazol-3-amine 1-[(5-chloro-2-methoxy-phenyl)me…

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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) 3.56 7.33 -8.59 2 4 0 53 287.75 3 ↓

Analogs

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Popular Name: 1-[(2,3-difluorophenyl)methyl]indazol-3-amine 1-[(2,3-difluorophenyl)methyl]in…

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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) 3.13 7.38 -13.15 2 3 0 44 259.259 2 ↓

Analogs

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Popular Name: 1-[(2,4-difluorophenyl)methyl]indazol-3-amine 1-[(2,4-difluorophenyl)methyl]in…

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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) 3.15 7.38 -10.14 2 3 0 44 259.259 2 ↓

Parameters Provided:

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filter.purchasability = annotated
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Structural Results Found: (before additional filtering)

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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 = 64 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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