UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-benzyl-6-nitro-indazole 2-benzyl-6-nitro-indazole

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.22 9.08 -13.99 0 5 0 64 253.261 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-benzylindazol-6-amine 2-benzylindazol-6-amine

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.34 6.24 -11.94 2 3 0 44 223.279 2 ↓

Analogs

11838262
11838262

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-1-[2-(2-fluorophenyl)ethyl]-3-piperidyl]methyl]-2-indazol-2-yl-N-methyl-acetamide N-[[(3R)-1-[2-(2-fluorophenyl)et…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.77 2.45 -50.49 1 5 1 43 409.529 7 ↓

Analogs

11838261
11838261

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-1-[2-(2-fluorophenyl)ethyl]-3-piperidyl]methyl]-2-indazol-2-yl-N-methyl-acetamide N-[[(3S)-1-[2-(2-fluorophenyl)et…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.77 2.4 -52.96 1 5 1 43 409.529 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-Acetyl-4-chloro-2H-indazole 2-Acetyl-4-chloro-2H-indazole

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.58 5.03 -6.68 0 3 0 35 194.621 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-Bromo-5-fluoro-2-methyl-2H-indazole 6-Bromo-5-fluoro-2-methyl-2H-ind…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.60 5.19 -9.28 0 2 0 18 229.052 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2R)-2-allyloxy-1'-(2-indazol-2-ylacetyl)spiro[indane-3,4'-piperidine]-1-yl]-2-methoxy-acetami N-[(1R,2R)-2-allyloxy-1'-(2-inda…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.59 -0.49 -33.49 1 8 0 86 488.588 8 ↓

Analogs

35505016
35505016
35505019
35505019
35505025
35505025
35505029
35505029
35505042
35505042

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-chlorophenyl)methyl]-2-[(4-methoxyphenyl)methyl]indazole-6-carboxamide N-[(4-chlorophenyl)methyl]-2-[(4…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.59 10.45 -19.33 1 5 0 56 405.885 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methylindazol-4-ol 2-methylindazol-4-ol

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.43 1.68 -10.09 1 3 0 38 148.165 0 ↓
Hi High (pH 8-9.5) 1.43 2.45 -45.99 0 3 -1 41 147.157 0 ↓

Analogs

38234110
38234110

Draw Identity 99% 90% 80% 70%

Popular Name: 5-Hydroxy-2-methyl-2H-indazole 5-Hydroxy-2-methyl-2H-indazole

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.19 1.67 -10.26 1 3 0 38 148.165 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-Hydroxy-2-methyl-2H-indazole 6-Hydroxy-2-methyl-2H-indazole

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.19 1.67 -11.8 1 3 0 38 148.165 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methylindazol-7-ol 2-methylindazol-7-ol

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.43 1.66 -12.04 1 3 0 38 148.165 0 ↓
Hi High (pH 8-9.5) 1.43 2.43 -58.28 0 3 -1 41 147.157 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-METHYL-2H-INDAZOLE-4-CARBONITRILE 2-METHYL-2H-INDAZOLE-4-CARBONITRILE

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.40 4.9 -9.06 0 3 0 42 157.176 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-METHYL-2H-INDAZOLE-5-CARBONITRILE 2-METHYL-2H-INDAZOLE-5-CARBONITRILE

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.43 4.88 -11.11 0 3 0 42 157.176 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-METHYL-2H-INDAZOLE-6-CARBONITRILE 2-METHYL-2H-INDAZOLE-6-CARBONITRILE

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.43 4.88 -11.09 0 3 0 42 157.176 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-METHYL-2H-INDAZOLE-7-CARBONITRILE 2-METHYL-2H-INDAZOLE-7-CARBONITRILE

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.40 4.94 -15.4 0 3 0 42 157.176 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-Methyl-2H-indazol-4-yl)methanol (2-Methyl-2H-indazol-4-yl)methanol

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.98 2 -11.74 1 3 0 38 162.192 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-Methyl-2H-indazol-5-yl)methanol (2-Methyl-2H-indazol-5-yl)methanol

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.01 1.83 -11.72 1 3 0 38 162.192 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-Methyl-2H-indazol-6-yl)methanol (2-Methyl-2H-indazol-6-yl)methanol

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.01 1.83 -12.25 1 3 0 38 162.192 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-Methyl-2H-indazol-7-yl)methanol (2-Methyl-2H-indazol-7-yl)methanol

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.98 1.98 -10.93 1 3 0 38 162.192 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-METHYL-2H-INDAZOL-4-YL)METHANAMINE (2-METHYL-2H-INDAZOL-4-YL)METHAN…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.83 2.52 -55.56 3 3 1 45 162.216 1 ↓
Hi High (pH 8-9.5) 0.83 2.13 -9.03 2 3 0 44 161.208 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-AMINOMETHYL-2-METHYLINDAZOLE 5-AMINOMETHYL-2-METHYLINDAZOLE

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.85 2.54 -53.04 3 3 1 45 162.216 1 ↓
Hi High (pH 8-9.5) 0.85 2.14 -9.46 2 3 0 44 161.208 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-AMINOMETHYL-2-METHYLINDAZOLE 6-AMINOMETHYL-2-METHYLINDAZOLE

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.85 2.54 -48.6 3 3 1 45 162.216 1 ↓
Hi High (pH 8-9.5) 0.85 2.14 -9.72 2 3 0 44 161.208 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2H-Indazole-7-methanamine, 2-methyl 2H-Indazole-7-methanamine, 2-methyl

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.83 2.51 -39.96 3 3 1 45 162.216 1 ↓
Hi High (pH 8-9.5) 0.83 2.11 -10.26 2 3 0 44 161.208 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-Acetyl-2-methyl-2H-indazole 4-Acetyl-2-methyl-2H-indazole

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.54 5.12 -11.96 0 3 0 35 174.203 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-ACETYL-2-METHYL-2H-INDAZOLE 5-ACETYL-2-METHYL-2H-INDAZOLE

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.57 4.98 -12.2 0 3 0 35 174.203 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-Acetyl-2-methyl-2H-indazole 6-Acetyl-2-methyl-2H-indazole

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.57 5.07 -14.86 0 3 0 35 174.203 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-Acetyl-2-methyl-2H-indazole 7-Acetyl-2-methyl-2H-indazole

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.54 5.07 -19.25 0 3 0 35 174.203 1 ↓

Analogs

36533358
36533358

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(2-methylindazol-4-yl)ethanamine (1S)-1-(2-methylindazol-4-yl)eth…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.49 3.34 -54.56 3 3 1 45 176.243 1 ↓
Hi High (pH 8-9.5) -0.49 3.01 -9.57 2 3 0 44 175.235 1 ↓

Analogs

36533356
36533356

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(2-methylindazol-4-yl)ethanamine (1R)-1-(2-methylindazol-4-yl)eth…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.49 3.31 -54.35 3 3 1 45 176.243 1 ↓
Hi High (pH 8-9.5) -0.49 3.04 -9.12 2 3 0 44 175.235 1 ↓

Analogs

36533362
36533362

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(2-methylindazol-5-yl)ethanamine (1S)-1-(2-methylindazol-5-yl)eth…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.46 3.28 -50.68 3 3 1 45 176.243 1 ↓
Hi High (pH 8-9.5) -0.46 2.94 -9.71 2 3 0 44 175.235 1 ↓

Analogs

36533360
36533360

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(2-methylindazol-5-yl)ethanamine (1R)-1-(2-methylindazol-5-yl)eth…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.46 3.28 -50.63 3 3 1 45 176.243 1 ↓
Hi High (pH 8-9.5) -0.46 2.97 -9.41 2 3 0 44 175.235 1 ↓

Analogs

36533366
36533366

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(2-methylindazol-6-yl)ethanamine (1S)-1-(2-methylindazol-6-yl)eth…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.46 3.28 -48.91 3 3 1 45 176.243 1 ↓
Hi High (pH 8-9.5) -0.46 2.93 -10.27 2 3 0 44 175.235 1 ↓

Analogs

36533364
36533364

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(2-methylindazol-6-yl)ethanamine (1R)-1-(2-methylindazol-6-yl)eth…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.46 3.28 -48.88 3 3 1 45 176.243 1 ↓
Hi High (pH 8-9.5) -0.46 2.97 -9.24 2 3 0 44 175.235 1 ↓

Analogs

36533370
36533370

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(2-methylindazol-7-yl)ethanamine (1S)-1-(2-methylindazol-7-yl)eth…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.49 3.32 -44.63 3 3 1 45 176.243 1 ↓
Hi High (pH 8-9.5) -0.49 2.99 -9.71 2 3 0 44 175.235 1 ↓

Analogs

36533368
36533368

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(2-methylindazol-7-yl)ethanamine (1R)-1-(2-methylindazol-7-yl)eth…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.49 3.3 -44.33 3 3 1 45 176.243 1 ↓
Hi High (pH 8-9.5) -0.49 3.04 -9.16 2 3 0 44 175.235 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-methylindazol-4-yl)ethanamine 2-(2-methylindazol-4-yl)ethanamine

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.63 3.29 -57.61 3 3 1 45 176.243 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-methylindazol-5-yl)ethanamine 2-(2-methylindazol-5-yl)ethanamine

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.65 3.31 -53.55 3 3 1 45 176.243 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-methylindazol-6-yl)ethanamine 2-(2-methylindazol-6-yl)ethanamine

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.65 3.31 -50.37 3 3 1 45 176.243 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-methylindazol-7-yl)ethanamine 2-(2-methylindazol-7-yl)ethanamine

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.63 3.3 -44.05 3 3 1 45 176.243 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (Z)-3-(1H-indazol-4-yl)prop-2-enoic (Z)-3-(1H-indazol-4-yl)prop-2-enoic

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.37 4.89 -50.89 1 4 -1 69 187.178 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-(1H-indazol-5-yl)prop-2-enoic (E)-3-(1H-indazol-5-yl)prop-2-enoic

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.57 5.03 -54.97 1 4 -1 69 187.178 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-(1H-indazol-6-yl)prop-2-enoic (E)-3-(1H-indazol-6-yl)prop-2-enoic

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.57 5.03 -55.02 1 4 -1 69 187.178 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-(2-methylindazol-4-yl)prop-2-enoic (E)-3-(2-methylindazol-4-yl)prop…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.44 6.34 -50.85 0 4 -1 58 201.205 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (Z)-3-(2-methylindazol-5-yl)prop-2-enoic (Z)-3-(2-methylindazol-5-yl)prop…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.64 6.16 -52.27 0 4 -1 58 201.205 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-(2-methylindazol-6-yl)prop-2-enoic (E)-3-(2-methylindazol-6-yl)prop…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.64 6.34 -56.15 0 4 -1 58 201.205 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-BROMO-2,3-DIMETHYL-2H-INDAZOLE 4-BROMO-2,3-DIMETHYL-2H-INDAZOLE

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.68 5.45 -7.99 0 2 0 18 225.089 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-Bromo-2,5-dimethyl-2H-indazole 4-Bromo-2,5-dimethyl-2H-indazole

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.86 5.68 -7.53 0 2 0 18 225.089 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-2,6-dimethyl-indazole 4-bromo-2,6-dimethyl-indazole

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.86 5.78 -7.47 0 2 0 18 225.089 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-BROMO-2,7-DIMETHYL-2H-INDAZOLE 4-BROMO-2,7-DIMETHYL-2H-INDAZOLE

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.86 5.75 -7.45 0 2 0 18 225.089 0 ↓

Parameters Provided:

ring.id = 1908
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 1908 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=1908&filter.purchasability=annotated

Embed Link to Results