UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-2-cyclopropyl-N-ethyl-N-(m-tolyl)propanamide (2R)-2-amino-2-cyclopropyl-N-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) 2.88 6.45 -48.18 3 3 1 48 247.362 4 ↓
Hi High (pH 8-9.5) 2.88 6.16 -8.18 2 3 0 46 246.354 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-2-cyclopropyl-N-ethyl-N-(m-tolyl)propanamide (2S)-2-amino-2-cyclopropyl-N-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) 2.88 6.78 -47.66 3 3 1 48 247.362 4 ↓
Hi High (pH 8-9.5) 2.88 6.94 -8.05 2 3 0 46 246.354 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2-cyclopropylacetyl)amino]-2-hydroxy-benzoic 5-[(2-cyclopropylacetyl)amino]-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) 2.17 4.35 -51.53 2 5 -1 89 234.231 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2-cyclopropylacetyl)amino]benzoic 4-[(2-cyclopropylacetyl)amino]be…

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) 2.17 6.3 -54.98 1 4 -1 69 218.232 4 ↓

Analogs

13260165
13260165
26579112
26579112

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-2-[(2-cyclopropylacetyl)amino]benzoic 5-chloro-2-[(2-cyclopropylacetyl…

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) 2.95 7.14 -40.96 1 4 -1 69 252.677 4 ↓

Analogs

16623715
16623715
19807090
19807090
13432683
13432683

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2-cyclopropylacetyl)amino]-5-methyl-benzoic 2-[(2-cyclopropylacetyl)amino]-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) 2.73 7.29 -45.66 1 4 -1 69 232.259 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-2-cyclopropyl-N-[2-fluoro-5-(trifluoromethyl)phenyl]propanamide (2R)-2-amino-2-cyclopropyl-N-[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) 2.82 4.67 -50.03 4 3 1 57 291.268 4 ↓
Hi High (pH 8-9.5) 2.82 4.38 -6.88 3 3 0 55 290.26 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-2-cyclopropyl-N-[2-fluoro-5-(trifluoromethyl)phenyl]propanamide (2S)-2-amino-2-cyclopropyl-N-[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) 2.82 5.01 -50.71 4 3 1 57 291.268 4 ↓
Hi High (pH 8-9.5) 2.82 4.69 -6.57 3 3 0 55 290.26 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2-cyclopropylacetyl)amino]-5-nitro-benzoic 2-[(2-cyclopropylacetyl)amino]-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) 2.23 7.32 -39.13 1 7 -1 115 263.229 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2-cyclopropylacetyl)amino]-4-nitro-benzoic 2-[(2-cyclopropylacetyl)amino]-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) 2.23 7.36 -37.66 1 7 -1 115 263.229 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2-cyclopropylacetyl)amino]-5-iodo-benzoic 2-[(2-cyclopropylacetyl)amino]-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) 3.36 7.72 -41 1 4 -1 69 344.128 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(2R)-2-amino-2-cyclopropyl-propanoyl]amino]-5-iodo-benzoic 2-[[(2R)-2-amino-2-cyclopropyl-p…

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) 2.93 5.51 -51.83 4 5 0 97 374.178 4 ↓
Hi High (pH 8-9.5) 2.93 5.17 -43.18 3 5 -1 95 373.17 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(2S)-2-amino-2-cyclopropyl-propanoyl]amino]-5-iodo-benzoic 2-[[(2S)-2-amino-2-cyclopropyl-p…

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) 2.93 5.92 -52.12 4 5 0 97 374.178 4 ↓
Hi High (pH 8-9.5) 2.93 5.67 -39.92 3 5 -1 95 373.17 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dibromo-2-[(2-cyclopropylacetyl)amino]benzoic 3,5-dibromo-2-[(2-cyclopropylace…

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) 3.82 7.89 -40.12 1 4 -1 69 376.024 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(2R)-2-amino-2-cyclopropyl-propanoyl]amino]-3,5-dibromo-benzoic 2-[[(2R)-2-amino-2-cyclopropyl-p…

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) 3.40 5.8 -43.38 4 5 0 97 406.074 4 ↓
Hi High (pH 8-9.5) 3.40 5.51 -37.88 3 5 -1 95 405.066 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(2S)-2-amino-2-cyclopropyl-propanoyl]amino]-3,5-dibromo-benzoic 2-[[(2S)-2-amino-2-cyclopropyl-p…

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) 3.40 6.14 -51.21 4 5 0 97 406.074 4 ↓
Hi High (pH 8-9.5) 3.40 5.82 -42.1 3 5 -1 95 405.066 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2-cyclopropylacetyl)amino]-3,5-dimethyl-benzoic 2-[(2-cyclopropylacetyl)amino]-3…

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) 2.17 8.18 -48.97 1 4 -1 69 246.286 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-bromo-2-[(2-cyclopropylacetyl)amino]benzoic 3-bromo-2-[(2-cyclopropylacetyl)…

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) 3.06 7.5 -47.31 1 4 -1 69 297.128 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(2R)-2-amino-2-cyclopropyl-propanoyl]amino]-3-bromo-benzoic 2-[[(2R)-2-amino-2-cyclopropyl-p…

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) 2.63 5.2 -44.7 4 5 0 97 327.178 4 ↓
Hi High (pH 8-9.5) 2.63 4.85 -44.85 3 5 -1 95 326.17 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(2S)-2-amino-2-cyclopropyl-propanoyl]amino]-3-bromo-benzoic 2-[[(2S)-2-amino-2-cyclopropyl-p…

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) 2.63 5.54 -52.75 4 5 0 97 327.178 4 ↓
Hi High (pH 8-9.5) 2.63 5.28 -43.19 3 5 -1 95 326.17 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-[(2-cyclopropylacetyl)amino]benzoic 5-amino-2-[(2-cyclopropylacetyl)…

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) 1.35 4.49 -45.94 3 5 -1 95 233.247 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-2-[(2-cyclopropylacetyl)amino]benzoic 4-amino-2-[(2-cyclopropylacetyl)…

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) 1.35 4.52 -48.33 3 5 -1 95 233.247 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-[(2-cyclopropylacetyl)-methyl-amino]benzoic 5-amino-2-[(2-cyclopropylacetyl)…

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) 0.93 6.5 -58.01 2 5 -1 86 247.274 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-4-[(2-cyclopropylacetyl)amino]benzoic 3-amino-4-[(2-cyclopropylacetyl)…

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) 1.58 4.45 -56.38 3 5 -1 95 233.247 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-4-[(2-cyclopropylacetyl)-methyl-amino]benzoic 3-amino-4-[(2-cyclopropylacetyl)…

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) 1.15 6.46 -56.64 2 5 -1 86 247.274 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-amino-N-(2-cyclopropylacetyl)anilino)acetic 2-(2-amino-N-(2-cyclopropylacety…

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 6.93 -49.26 2 5 -1 86 247.274 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-amino-N-(2-cyclopropylacetyl)anilino)propanoic 3-(2-amino-N-(2-cyclopropylacety…

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 7.46 -43.58 2 5 -1 86 261.301 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-4-[(2-cyclopropylacetyl)-ethyl-amino]benzoic 3-amino-4-[(2-cyclopropylacetyl)…

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 7.38 -56.57 2 5 -1 86 261.301 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2-cyclopropylacetyl)amino]-3-fluoro-benzoic 4-[(2-cyclopropylacetyl)amino]-3…

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) 2.26 6.42 -48.61 1 4 -1 69 236.222 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(2R)-2-amino-2-cyclopropyl-propanoyl]amino]-3-fluoro-benzoic 4-[[(2R)-2-amino-2-cyclopropyl-p…

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) 1.83 4.22 -81.78 4 5 0 97 266.272 4 ↓
Hi High (pH 8-9.5) 1.83 3.94 -46.85 3 5 -1 95 265.264 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(2S)-2-amino-2-cyclopropyl-propanoyl]amino]-3-fluoro-benzoic 4-[[(2S)-2-amino-2-cyclopropyl-p…

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) 1.83 4.57 -82.1 4 5 0 97 266.272 4 ↓
Hi High (pH 8-9.5) 1.83 4.25 -47.43 3 5 -1 95 265.264 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclopropyl-N-[2-(hydroxymethyl)phenyl]acetamide 2-cyclopropyl-N-[2-(hydroxymethy…

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) 1.55 3.37 -10.28 2 3 0 49 205.257 4 ↓

Analogs

4611922
4611922
4611920
4611920

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-2-cyclopropyl-N-(4-ethoxy-2-nitro-phenyl)propanamide (2R)-2-amino-2-cyclopropyl-N-(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) 2.15 4.83 -49.29 4 7 1 112 294.331 6 ↓

Analogs

4611922
4611922
4611920
4611920

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-2-cyclopropyl-N-(4-ethoxy-2-nitro-phenyl)propanamide (2S)-2-amino-2-cyclopropyl-N-(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) 2.15 5.13 -49.1 4 7 1 112 294.331 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-2-cyclopropyl-N-(4-methoxy-3-methyl-phenyl)propanamide (2R)-2-amino-2-cyclopropyl-N-(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) 2.26 3.6 -52.88 4 4 1 66 249.334 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-2-cyclopropyl-N-(4-methoxy-3-methyl-phenyl)propanamide (2S)-2-amino-2-cyclopropyl-N-(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) 2.26 3.94 -53.23 4 4 1 66 249.334 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-2-cyclopropyl-N-[2-[(1S)-1-hydroxyethyl]phenyl]propanamide (2R)-2-amino-2-cyclopropyl-N-[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) 1.35 2.29 -55.25 5 4 1 77 249.334 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-2-cyclopropyl-N-[2-[(1R)-1-hydroxyethyl]phenyl]propanamide (2R)-2-amino-2-cyclopropyl-N-[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) 1.35 2.02 -54.28 5 4 1 77 249.334 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-2-cyclopropyl-N-[2-[(1S)-1-hydroxyethyl]phenyl]propanamide (2S)-2-amino-2-cyclopropyl-N-[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) 1.35 2.3 -54.63 5 4 1 77 249.334 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-2-cyclopropyl-N-[2-[(1R)-1-hydroxyethyl]phenyl]propanamide (2S)-2-amino-2-cyclopropyl-N-[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) 1.35 2.35 -55.4 5 4 1 77 249.334 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclopropyl-N-[2-[(1S)-1-hydroxyethyl]phenyl]acetamide 2-cyclopropyl-N-[2-[(1S)-1-hydro…

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) 1.77 4.14 -9.8 2 3 0 49 219.284 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclopropyl-N-[2-[(1R)-1-hydroxyethyl]phenyl]acetamide 2-cyclopropyl-N-[2-[(1R)-1-hydro…

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) 1.77 4.2 -9.9 2 3 0 49 219.284 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-N-(5-bromo-2-methoxy-phenyl)-2-cyclopropyl-propanamide (2R)-2-amino-N-(5-bromo-2-methox…

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) 2.62 3.92 -49.59 4 4 1 66 314.203 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-N-(5-bromo-2-methoxy-phenyl)-2-cyclopropyl-propanamide (2S)-2-amino-N-(5-bromo-2-methox…

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) 2.62 3.93 -49.66 4 4 1 66 314.203 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-2-cyclopropyl-N-(4-fluoro-2-methoxy-phenyl)propanamide (2R)-2-amino-2-cyclopropyl-N-(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) 1.98 3.03 -48.92 4 4 1 66 253.297 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-2-cyclopropyl-N-(4-fluoro-2-methoxy-phenyl)propanamide (2S)-2-amino-2-cyclopropyl-N-(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) 1.98 3.37 -49.82 4 4 1 66 253.297 4 ↓

Parameters Provided:

ring.id = 12059
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 = 12059 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=12059&filter.purchasability=annotated

Embed Link to Results