UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-(3-chlorophenyl)tetrazol-2-yl]-N,N-dimethyl-acetamide 2-[5-(3-chlorophenyl)tetrazol-2-…

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) 1.00 1.17 -16.13 0 6 0 63 265.704 3 ↓

Analogs

15081691
15081691

Draw Identity 99% 90% 80% 70%

Popular Name: methyl 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) 1.95 2.48 -12.39 0 6 0 69 252.661 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(3-methoxypropyl)acetamide 2-[5-(3-fluorophenyl)tetrazol-2-…

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) 0.94 -0.31 -16.61 1 7 0 81 293.302 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-methyl-acetamide 2-[5-(3-fluorophenyl)tetrazol-2-…

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) 0.68 2.52 -16.78 1 6 0 73 235.222 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]-N-prop-2-ynyl-acetamide 2-[[2-(5-phenyltetrazol-2-yl)ace…

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) 0.31 2.29 -17.01 2 8 0 102 298.306 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N'-hydroxy-3-(5-phenyltetrazol-2-yl)butanamidine (3S)-N'-hydroxy-3-(5-phenyltetra…

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) 1.09 2.49 -8.28 3 7 0 102 246.274 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N'-hydroxy-3-(5-phenyltetrazol-2-yl)butanamidine (3R)-N'-hydroxy-3-(5-phenyltetra…

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) 1.09 2.49 -8.29 3 7 0 102 246.274 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-(3-Fluorophenyl)-2H-tetraazol-2-yl]acetic acid [5-(3-Fluorophenyl)-2H-tetraazol…

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) 0.82 4 -46.6 0 6 -1 84 221.171 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-(3,5-dichloro-2-methoxy-phenyl)tetrazol-2-yl]acetic 2-[5-(3,5-dichloro-2-methoxy-phe…

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) 1.95 4.75 -44.1 0 7 -1 93 302.097 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2-methyl-2H-tetrazol-5-yl)phenol 4-(2-methyl-2H-tetrazol-5-yl)phenol

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) 0.96 1.11 -11.87 1 5 0 64 176.179 1 ↓

Analogs

4127619
4127619

Draw Identity 99% 90% 80% 70%

Popular Name: [5-(4-aminophenyl)-2H-tetrazol-2-yl]acetic acid [5-(4-aminophenyl)-2H-tetrazol-2…

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) -0.24 1.79 -50.82 2 7 -1 110 218.196 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-(3-amino-4-methylphenyl)-2H-tetrazol-2-yl]acetamide 2-[5-(3-amino-4-methylphenyl)-2H…

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) 0.03 -0.47 -21.25 4 7 0 113 232.247 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-4-[2-(carboxymethyl)tetrazol-5-yl]benzoic 2-amino-4-[2-(carboxymethyl)tetr…

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) 0.18 1.44 -95.15 2 9 -2 150 261.197 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-4-[2-(propan-2-yl)-2H-tetrazol-5-yl]phenol 2-amino-4-[2-(propan-2-yl)-2H-te…

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) 1.36 0.62 -8.87 3 6 0 90 219.248 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-ethyl-2H-tetrazol-5-yl)aniline 3-(2-ethyl-2H-tetrazol-5-yl)aniline

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) 0.86 2.65 -9.73 2 5 0 70 189.222 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-(4-Hydroxyphenyl)-2H-tetraazol-2-yl]acetic acid [5-(4-Hydroxyphenyl)-2H-tetraazo…

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) 0.20 1.07 -50.79 1 7 -1 104 219.18 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-(3-aminophenyl)-2H-tetrazol-2-yl]acetamide 2-[5-(3-aminophenyl)-2H-tetrazol…

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) -0.78 -1.23 -21.28 4 7 0 113 218.22 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-(3,4-Dihydroxyphenyl)-2H-tetraazol-2-yl]acetic acid [5-(3,4-Dihydroxyphenyl)-2H-tetr…

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) -0.29 -0.88 -50.64 2 8 -1 124 235.179 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-ethoxy-4-methoxy-2-(2-methyltetrazol-5-yl)aniline 5-ethoxy-4-methoxy-2-(2-methylte…

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) 0.87 2.56 -10.98 2 7 0 88 249.274 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-ethoxy-2-(2-ethyltetrazol-5-yl)-4-methoxy-aniline 5-ethoxy-2-(2-ethyltetrazol-5-yl…

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) 1.24 3.38 -10.57 2 7 0 88 263.301 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-(propan-2-yl)-2H-tetrazol-5-yl]benzoic acid 4-[2-(propan-2-yl)-2H-tetrazol-5…

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) 2.08 5.07 -49.69 0 6 -1 84 231.235 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-Ethoxy-5-methoxy-2-(2-methyl-2H-tetraazol-5-yl)phenylamine 4-Ethoxy-5-methoxy-2-(2-methyl-2…

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) 0.87 2.56 -11.07 2 7 0 88 249.274 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(2-methyl-2H-tetrazol-5-yl)phenoxy]acetic acid [4-(2-methyl-2H-tetrazol-5-yl)ph…

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) 0.74 3.92 -49.72 0 7 -1 93 233.207 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-Amino-4-(2-ethyl-2H-tetraazol-5-yl)benzoic acid 2-Amino-4-(2-ethyl-2H-tetraazol-…

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) 1.31 2.3 -49 2 7 -1 110 232.223 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-(2-amino-4-ethoxy-5-methoxy-phenyl)tetrazol-2-yl]acetamide 2-[5-(2-amino-4-ethoxy-5-methoxy…

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) -0.40 -0.5 -21.71 4 9 0 131 292.299 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-2-(2-methyltetrazol-5-yl)benzoic 4-amino-2-(2-methyltetrazol-5-yl…

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) 0.01 1.03 -66.44 2 7 -1 110 218.196 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-ethoxy-4-methoxy-2-(2-propyltetrazol-5-yl)aniline 5-ethoxy-4-methoxy-2-(2-propylte…

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) 1.75 4.14 -9.97 2 7 0 88 277.328 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl 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) 1.95 5.28 -12.57 1 8 0 99 337.767 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl 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) 1.95 5.42 -12.99 1 8 0 99 337.767 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3-ethoxypropyl)butanamide (2S)-2-[5-(4-chlorophenyl)tetraz…

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) 2.71 5.97 -13.91 1 7 0 82 351.838 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3-ethoxypropyl)butanamide (2R)-2-[5-(4-chlorophenyl)tetraz…

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) 2.71 6.11 -14.66 1 7 0 82 351.838 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2-methoxyethylcarbamoyl)acetamide 2-[5-(4-chlorophenyl)tetrazol-2-…

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 3.06 -30.4 2 9 0 111 338.755 6 ↓

Analogs

5088478
5088478

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[5-(4-chlorophenyl)tetrazol-2-yl]-3,3-dimethyl-butan-2-one 1-[5-(4-chlorophenyl)tetrazol-2-…

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) 2.98 7.15 -12.62 0 5 0 61 278.743 4 ↓

Analogs

19864502
19864502

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-methylamino-3-(5-phenyltetrazol-2-yl)propan-2-ol (2R)-1-methylamino-3-(5-phenylte…

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) 0.57 1.74 -44.29 3 6 1 80 234.283 5 ↓
Hi High (pH 8-9.5) 0.57 0.17 -8.45 2 6 0 76 233.275 5 ↓

Analogs

19864500
19864500

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-methylamino-3-(5-phenyltetrazol-2-yl)propan-2-ol (2S)-1-methylamino-3-(5-phenylte…

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) 0.57 1.78 -44.04 3 6 1 80 234.283 5 ↓
Hi High (pH 8-9.5) 0.57 0.29 -7.39 2 6 0 76 233.275 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-methoxy-butanamide (2S)-2-[5-(4-chlorophenyl)tetraz…

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) 2.04 5.31 -16.96 1 7 0 82 295.73 5 ↓
Hi High (pH 8-9.5) 2.23 4.09 -47.73 0 7 -1 88 294.722 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-methoxy-butanamide (2R)-2-[5-(4-chlorophenyl)tetraz…

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) 2.04 5.44 -17.81 1 7 0 82 295.73 5 ↓
Hi High (pH 8-9.5) 2.23 4.08 -47.52 0 7 -1 88 294.722 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(5-phenyltetrazol-2-yl)ethyl]butan-1-amine N-[2-(5-phenyltetrazol-2-yl)ethy…

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) 2.31 6.44 -48.89 2 5 1 60 246.338 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[2-(5-phenyltetrazol-2-yl)ethyl]butan-2-amine (2R)-N-[2-(5-phenyltetrazol-2-yl…

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) 2.43 6.23 -45.51 2 5 1 60 246.338 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[2-(5-phenyltetrazol-2-yl)ethyl]butan-2-amine (2S)-N-[2-(5-phenyltetrazol-2-yl…

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) 2.43 6.24 -45.46 2 5 1 60 246.338 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-methoxy-N-[2-(5-phenyltetrazol-2-yl)ethyl]propan-2-amine (2S)-1-methoxy-N-[2-(5-phenyltet…

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) 1.53 4.64 -45.26 2 6 1 69 262.337 7 ↓
Hi High (pH 8-9.5) 1.53 3.4 -7.89 1 6 0 65 261.329 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-methoxy-N-[2-(5-phenyltetrazol-2-yl)ethyl]propan-2-amine (2R)-1-methoxy-N-[2-(5-phenyltet…

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) 1.53 4.63 -45.52 2 6 1 69 262.337 7 ↓
Hi High (pH 8-9.5) 1.53 3.41 -7.11 1 6 0 65 261.329 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(2-methoxyethyl)-2-(5-phenyltetrazol-2-yl)propan-1-amine (2S)-N-(2-methoxyethyl)-2-(5-phe…

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) 1.22 4.73 -45.81 2 6 1 69 262.337 7 ↓
Hi High (pH 8-9.5) 1.22 3.46 -7.82 1 6 0 65 261.329 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2-methoxyethyl)-2-(5-phenyltetrazol-2-yl)propan-1-amine (2R)-N-(2-methoxyethyl)-2-(5-phe…

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) 1.22 4.73 -45.89 2 6 1 69 262.337 7 ↓
Hi High (pH 8-9.5) 1.22 3.32 -8.33 1 6 0 65 261.329 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-allyl-2-(5-phenyltetrazol-2-yl)propan-1-amine (2S)-N-allyl-2-(5-phenyltetrazol…

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) 1.88 6.16 -46.82 2 5 1 60 244.322 6 ↓
Hi High (pH 8-9.5) 1.88 4.93 -6.54 1 5 0 56 243.314 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-allyl-2-(5-phenyltetrazol-2-yl)propan-1-amine (2R)-N-allyl-2-(5-phenyltetrazol…

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) 1.88 6.16 -46.88 2 5 1 60 244.322 6 ↓
Hi High (pH 8-9.5) 1.88 4.78 -6.91 1 5 0 56 243.314 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[(2R)-2-(5-phenyltetrazol-2-yl)propyl]butan-2-amine 2-methyl-N-[(2R)-2-(5-phenyltetr…

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) 3.27 7.03 -44.19 2 5 1 60 274.392 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[(2S)-2-(5-phenyltetrazol-2-yl)propyl]butan-2-amine 2-methyl-N-[(2S)-2-(5-phenyltetr…

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) 3.27 7.03 -44.24 2 5 1 60 274.392 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(2R)-2-(5-phenyltetrazol-2-yl)propyl]butan-2-amine (2R)-N-[(2R)-2-(5-phenyltetrazol…

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) 2.79 6.94 -44.36 2 5 1 60 260.365 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(2R)-2-(5-phenyltetrazol-2-yl)propyl]butan-2-amine (2S)-N-[(2R)-2-(5-phenyltetrazol…

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) 2.79 6.94 -44.44 2 5 1 60 260.365 6 ↓

Parameters Provided:

ring.id = 4850
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 = 4850 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=4850&filter.purchasability=annotated

Embed Link to Results