UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

44827440
44827440

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-2-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-3-[(3R)-4-oxochroman-3-yl]prop-2-enenitrile (E)-2-[4-(3,4-dimethoxyphenyl)th…

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) 3.32 9.58 -18.57 0 6 0 81 418.474 5 ↓

Analogs

44827437
44827437

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-2-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-3-[(3S)-4-oxochroman-3-yl]prop-2-enenitrile (E)-2-[4-(3,4-dimethoxyphenyl)th…

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) 3.32 9.59 -18.51 0 6 0 81 418.474 5 ↓

Analogs

58114
58114

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2R)-4-oxochroman-2-yl]benzoic 4-[(2R)-4-oxochroman-2-yl]benzoic

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) 3.09 7.65 -51.92 0 4 -1 66 267.26 2 ↓

Analogs

58114
58114

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2S)-4-oxochroman-2-yl]benzoic 4-[(2S)-4-oxochroman-2-yl]benzoic

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) 3.09 7.67 -52.14 0 4 -1 66 267.26 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2S)-6-chloro-4-oxo-chroman-2-yl]benzoic 4-[(2S)-6-chloro-4-oxo-chroman-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) 3.75 8.18 -51.12 0 4 -1 66 301.705 2 ↓

Analogs

57886
57886

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2R)-6-chloro-4-oxo-chroman-2-yl]benzoic 4-[(2R)-6-chloro-4-oxo-chroman-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) 3.75 8.16 -50.91 0 4 -1 66 301.705 2 ↓

Analogs

3130958
3130958

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(4-hydroxyphenyl)-7-methoxy-chroman-4-one (3R)-3-(4-hydroxyphenyl)-7-metho…

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 4.08 -9.05 1 4 0 56 270.284 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-propylchroman-4-one 6-propylchroman-4-one

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 6.46 -6.57 0 2 0 26 190.242 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-8-amino-6-fluoro-4-oxo-chroman-2-carboxylic (2S)-8-amino-6-fluoro-4-oxo-chro…

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) 0.39 2.7 -41.76 2 5 -1 92 224.167 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-8-amino-6-fluoro-4-oxo-chroman-2-carboxylic (2R)-8-amino-6-fluoro-4-oxo-chro…

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) 0.39 2.7 -41.67 2 5 -1 92 224.167 1 ↓

Analogs

36142593
36142593

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-3,4-dihydro-2H-1-benzopyran-4-one 6-amino-3,4-dihydro-2H-1-benzopy…

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 2.12 -7.35 2 3 0 52 163.176 0 ↓

Analogs

39616662
39616662
59842912
59842912

Draw Identity 99% 90% 80% 70%

Popular Name: 7-aminochroman-4-one 7-aminochroman-4-one

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 2.11 -7.89 2 3 0 52 163.176 0 ↓

Analogs

36142538
36142538

Draw Identity 99% 90% 80% 70%

Popular Name: 7-amino-2,2-dimethyl-chroman-4-one 7-amino-2,2-dimethyl-chroman-4-one

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) 1.46 3.34 -7.45 2 3 0 52 191.23 0 ↓

Analogs

85958
85958

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-7-amino-2-(4-chlorophenyl)chroman-4-one (2R)-7-amino-2-(4-chlorophenyl)c…

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) 2.91 6.43 -7.31 2 3 0 52 273.719 1 ↓

Analogs

49588563
49588563
36142465
36142465
12462557
12462557

Draw Identity 99% 90% 80% 70%

Popular Name: 8-amino-6-methyl-chroman-4-one 8-amino-6-methyl-chroman-4-one

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 2.9 -7.36 2 3 0 52 177.203 0 ↓

Analogs

60052738
60052738
11525753
11525753

Draw Identity 99% 90% 80% 70%

Popular Name: 8-amino-6-fluoro-chroman-4-one 8-amino-6-fluoro-chroman-4-one

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 2.3 -7.58 2 3 0 52 181.166 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-amino-6-chloro-chroman-4-one 8-amino-6-chloro-chroman-4-one

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) 1.67 2.74 -7 2 3 0 52 197.621 0 ↓

Analogs

12647904
12647904
12647908
12647908

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-8-amino-6-bromo-2-ethyl-2-methyl-chroman-4-one (2S)-8-amino-6-bromo-2-ethyl-2-m…

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) 3.11 4.74 -6.07 2 3 0 52 284.153 1 ↓

Analogs

12359503
12359503
12359502
12359502
389966
389966

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2S)-6,7-dimethyl-4-oxo-chroman-2-yl]benzoic 3-[(2S)-6,7-dimethyl-4-oxo-chrom…

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) 3.87 9.83 -51.07 0 4 -1 66 295.314 2 ↓

Analogs

12359503
12359503
12359502
12359502
389966
389966

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2R)-6,7-dimethyl-4-oxo-chroman-2-yl]benzoic 3-[(2R)-6,7-dimethyl-4-oxo-chrom…

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) 3.87 9.81 -51.07 0 4 -1 66 295.314 2 ↓

Analogs

4348846
4348846
4348849
4348849

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(3,4-dihydroxyphenyl)-8-hydroxy-7-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahy (2S)-2-(3,4-dihydroxyphenyl)-8-h…

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) -0.56 -7.51 -16.09 7 11 0 186 450.396 4 ↓

Analogs

4277066
4277066

Draw Identity 99% 90% 80% 70%

Popular Name: 3-bromo-N-[(2S,3R)-4-oxo-2-phenyl-chroman-3-yl]propanamide 3-bromo-N-[(2S,3R)-4-oxo-2-pheny…

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) 3.01 8.35 -11.83 1 4 0 55 374.234 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-amino-3,4-dihydro-2H-1-benzopyran-4-one 8-amino-3,4-dihydro-2H-1-benzopy…

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) 1.04 2.24 -7.24 2 3 0 52 163.176 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-piperazin-1-ylchroman-4-one 8-piperazin-1-ylchroman-4-one

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) 0.95 4.75 -46.85 2 4 1 46 233.291 1 ↓
Hi High (pH 8-9.5) 0.95 3.45 -6.23 1 4 0 42 232.283 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Comosin Comosin

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) 1.82 2.25 -17.33 3 8 0 123 374.345 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Comosin Comosin

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) 1.82 2.48 -18.82 3 8 0 123 374.345 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Cudraflavanone A Cudraflavanone A

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) 5.76 6.34 -10.98 3 6 0 96 422.477 3 ↓

Analogs

34820765
34820765

Draw Identity 99% 90% 80% 70%

Popular Name: Cudraflavanone A Cudraflavanone A

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) 5.76 6.35 -10.86 3 6 0 96 422.477 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Paratocarpin H Paratocarpin H

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) 5.84 9.01 -9.95 2 5 0 76 406.478 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Paratocarpin H Paratocarpin H

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) 5.84 9.09 -9.82 2 5 0 76 406.478 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Dinklagin A Dinklagin A

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) 6.13 10.43 -8.72 1 4 0 56 390.479 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(2,2-dimethylchromen-6-yl)-7-hydroxy-6-(3-methylbut-2-enyl)chroman-4-one (2R)-2-(2,2-dimethylchromen-6-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) 6.13 10.48 -9.27 1 4 0 56 390.479 3 ↓

Analogs

33832827
33832827
3960618
3960618
4096105
4096105
4096107
4096107

Draw Identity 99% 90% 80% 70%

Popular Name: Eriodictyol-7-O-glucoside with HPLC [38965-51-4] Eriodictyol-7-O-glucoside with H…

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) -0.16 -7.1 -16.61 7 11 0 186 450.396 4 ↓

Analogs

33832827
33832827
4348833
4348833

Draw Identity 99% 90% 80% 70%

Popular Name: Eriodictyol-7-O-glucoside with HPLC [38965-51-4] Eriodictyol-7-O-glucoside with H…

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) -0.16 -7.53 -18.79 7 11 0 186 450.396 4 ↓

Analogs

33832827
33832827
3960619
3960619
4348833
4348833

Draw Identity 99% 90% 80% 70%

Popular Name: Eriodictyol-7-O-glucoside with HPLC [38965-51-4] Eriodictyol-7-O-glucoside with H…

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) -0.16 -7.1 -15.9 7 11 0 186 450.396 4 ↓

Analogs

33832827
33832827
3960619
3960619
3960618
3960618

Draw Identity 99% 90% 80% 70%

Popular Name: Eriodictyol-7-O-glucoside with HPLC [38965-51-4] Eriodictyol-7-O-glucoside with H…

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) -0.16 -7.54 -18.07 7 11 0 186 450.396 4 ↓

Analogs

35466129
35466129
35466131
35466131
36532578
36532578
3934761
3934761

Draw Identity 99% 90% 80% 70%

Popular Name: Flavanomarein with HPLC [577-38-8]; (Isookanin-7-O-glucoside) Flavanomarein with HPLC [577-38-…

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) -0.56 -7.45 -16.13 7 11 0 186 450.396 4 ↓

Analogs

35466129
35466129
35466131
35466131
36532578
36532578
3934761
3934761

Draw Identity 99% 90% 80% 70%

Popular Name: Flavanomarein with HPLC [577-38-8]; (Isookanin-7-O-glucoside) Flavanomarein with HPLC [577-38-…

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) -0.56 -7.47 -15.88 7 11 0 186 450.396 4 ↓

Analogs

33833336
33833336
35466129
35466129
35466131
35466131
36532578
36532578
3934761
3934761

Draw Identity 99% 90% 80% 70%

Popular Name: Flavanomarein with HPLC [577-38-8]; (Isookanin-7-O-glucoside) Flavanomarein with HPLC [577-38-…

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) -0.56 -7.88 -17.39 7 11 0 186 450.396 4 ↓

Analogs

31502593
31502593
33833404
33833404
4972905
4972905

Draw Identity 99% 90% 80% 70%

Popular Name: Prunin Prunin

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) 0.33 -5 -14.52 6 10 0 166 434.397 4 ↓

Analogs

33832983
33832983

Draw Identity 99% 90% 80% 70%

Popular Name: Naringenin-7-O-glucoside [529-55-5] Naringenin-7-O-glucoside [529-55-5]

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) 0.33 -5.01 -14.92 6 10 0 166 434.397 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7,8-Difluorochroman-4-one 7,8-Difluorochroman-4-one

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 4.37 -6.61 0 2 0 26 184.141 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S)-3-hydroxy-6-methoxy-2-(2-phenylethynyl)chroman-4-one (2S,3S)-3-hydroxy-6-methoxy-2-(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) 2.53 5.69 -10.82 1 4 0 56 294.306 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,2-dimethyl-7-[(2S)-3,3,3-trifluoro-2-hydroxy-propoxy]chroman-4-one 2,2-dimethyl-7-[(2S)-3,3,3-trifl…

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) 2.72 3.84 -8.41 1 4 0 56 304.264 4 ↓
Hi High (pH 8-9.5) 2.72 4.38 -43.65 0 4 -1 59 303.256 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,2-dimethyl-7-[(2R)-3,3,3-trifluoro-2-hydroxy-propoxy]chroman-4-one 2,2-dimethyl-7-[(2R)-3,3,3-trifl…

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) 2.72 3.84 -8.38 1 4 0 56 304.264 4 ↓
Hi High (pH 8-9.5) 2.72 4.38 -43.56 0 4 -1 59 303.256 4 ↓

Analogs

8952753
8952753
8952754
8952754

Draw Identity 99% 90% 80% 70%

Popular Name: 29838-67-3; Astilbin; C17449 29838-67-3; Astilbin; C17449

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 -6.9 -18.2 7 11 0 186 450.396 3 ↓
Hi High (pH 8-9.5) 0.01 -5.91 -56.04 6 11 -1 189 449.388 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: C17675; Neocarthamin C17675; Neocarthamin

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 -7.26 -15.79 7 11 0 186 450.396 4 ↓
Hi High (pH 8-9.5) -0.40 -6.34 -51.91 6 11 -1 189 449.388 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R)-2-(6-bromo-4H-1,3-benzodioxin-8-yl)-6-chloro-3-hydroxy-chroman-4-one (2S,3R)-2-(6-bromo-4H-1,3-benzod…

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) 3.45 5.35 -8.12 1 5 0 65 411.635 1 ↓
Hi High (pH 8-9.5) 3.45 5.98 -54.27 0 5 -1 68 410.627 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S)-2-(6-bromo-4H-1,3-benzodioxin-8-yl)-6-chloro-3-hydroxy-chroman-4-one (2S,3S)-2-(6-bromo-4H-1,3-benzod…

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) 3.45 6.54 -8.03 1 5 0 65 411.635 1 ↓
Hi High (pH 8-9.5) 3.45 7.34 -56.12 0 5 -1 68 410.627 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R)-2-(6-bromo-4H-1,3-benzodioxin-8-yl)-6-chloro-3-hydroxy-chroman-4-one (2R,3R)-2-(6-bromo-4H-1,3-benzod…

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) 3.45 6.54 -7.75 1 5 0 65 411.635 1 ↓
Hi High (pH 8-9.5) 3.45 7.32 -52.32 0 5 -1 68 410.627 1 ↓

Parameters Provided:

ring.id = 6688
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 = 6688 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=6688&filter.purchasability=annotated

Embed Link to Results