Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_ae7jalrne536o5qdqdoi92m5g5, O_RDWR) failed: No such file or directory (2) in /domains/zinc12/htdocs/lib/zinc/user/ZincAuthentication.php on line 109

Warning: session_write_close() [function.session-write-close]: Failed to write session data (files). Please verify that the current setting of session.save_path is correct (/tmp/session) in /domains/zinc12/htdocs/lib/zinc/user/ZincAuthentication.php on line 109
Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[6-[6-[(4-hydroxy-4-oxo-butanoyl)oxymethyl]-2,3,4-trimethoxy-phenyl]-1,3-benzodioxol-5-yl]methoxy 4-[[6-[6-[(4-hydroxy-4-oxo-butan…

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) 1.93 12.16 -96.81 0 13 -2 179 546.481 16 ↓
Lo Low (pH 4.5-6) 1.93 10.19 -51.37 1 13 -1 176 547.489 16 ↓
Lo Low (pH 4.5-6) 1.93 10.17 -53.79 1 13 -1 176 547.489 16 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[4-(1,3-benzodioxol-5-yl)-3-fluoro-phenyl]propanoic (2R)-2-[4-(1,3-benzodioxol-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) 3.94 7.72 -46.65 0 4 -1 59 287.266 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[4-(1,3-benzodioxol-5-yl)-3-fluoro-phenyl]propanoic (2S)-2-[4-(1,3-benzodioxol-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) 3.94 7.73 -49.35 0 4 -1 59 287.266 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[6-(hydroxymethyl)-1,3-benzodioxol-5-yl]phenyl]-N-methyl-formamide N-[2-[6-(hydroxymethyl)-1,3-benz…

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) 2.33 4.55 -12.58 1 5 0 59 285.299 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[6-(methoxymethyl)-1,3-benzodioxol-5-yl]-N-methyl-aniline 2-[6-(methoxymethyl)-1,3-benzodi…

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 5.91 -5.84 1 4 0 40 271.316 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: YA-2098 YA-2098

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) 3.99 4.46 -7.55 1 3 0 39 228.247 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: YA-2099 YA-2099

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) 3.99 4.47 -7.27 1 3 0 39 228.247 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: YA-2100 YA-2100

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) 3.52 4.38 -7.92 1 3 0 39 228.247 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: YA-2637 YA-2637

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) 3.50 3.79 -9.36 1 3 0 39 232.21 1 ↓
Hi High (pH 8-9.5) 3.50 4.56 -46.78 0 3 -1 42 231.202 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: YA-2638 YA-2638

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) 3.50 3.79 -8.2 1 3 0 39 232.21 1 ↓
Hi High (pH 8-9.5) 3.50 4.55 -46.54 0 3 -1 42 231.202 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: YA-2639 YA-2639

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) 3.23 3.95 -7.31 1 3 0 39 232.21 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: YA-2640 YA-2640

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) 3.23 3.78 -7.76 1 3 0 39 232.21 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: YA-3218 YA-3218

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) 3.29 4.15 -10.48 1 4 0 62 239.23 1 ↓
Hi High (pH 8-9.5) 3.29 4.92 -41.45 0 4 -1 65 238.222 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: YA-3219 YA-3219

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) 3.29 4.14 -10.61 1 4 0 62 239.23 1 ↓
Mid Mid (pH 6-8) 3.29 4.92 -46.8 0 4 -1 65 238.222 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: YA-3220 YA-3220

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) 2.83 4.1 -10.19 1 4 0 62 239.23 1 ↓
Hi High (pH 8-9.5) 2.83 4.86 -42.03 0 4 -1 65 238.222 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: YA-3698 YA-3698

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) 3.33 4.88 -12.17 1 4 0 56 242.23 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: YA-3699 YA-3699

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) 3.33 3.54 -10.78 1 4 0 56 242.23 2 ↓
Hi High (pH 8-9.5) 3.33 5.9 -57.12 0 4 -1 59 241.222 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: YA-3700 YA-3700

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) 3.10 3.88 -9.17 1 4 0 56 242.23 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: YA-4178 YA-4178

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) 2.96 3.73 -9.09 1 4 0 48 244.246 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: YA-4179 YA-4179

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) 2.96 3.73 -8.9 1 4 0 48 244.246 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: YA-4659 YA-4659

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) 4.01 4.27 -7.34 1 3 0 39 248.665 1 ↓
Hi High (pH 8-9.5) 4.01 5.03 -41.95 0 3 -1 42 247.657 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: YA-4660 YA-4660

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 4.23 -7.28 1 3 0 39 248.665 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: YA-5180 YA-5180

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) 3.88 4.34 -7.29 1 3 0 39 293.116 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: YA-5399 YA-5399

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) 3.97 4.71 -7.47 1 3 0 39 282.217 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: YA-5400 YA-5400

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) 4.04 3.51 -7.35 1 4 0 48 298.216 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: YB-0471 YB-0471

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) 3.55 7.92 -53.95 0 4 -1 59 255.249 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: YB-0472 YB-0472

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) 3.91 7.76 -50.6 0 4 -1 59 255.249 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: YB-0473 YB-0473

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) 3.55 7.69 -49.16 0 4 -1 59 255.249 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-Amino-5-(3,4-methylenedioxyphenyl)benzoic acid 3-Amino-5-(3,4-methylenedioxyphe…

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) 2.54 4.99 -56.58 2 5 -1 85 256.237 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: YB-0476 YB-0476

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) 3.24 4.67 -50.56 1 5 -1 79 257.221 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(Benzo[d][1,3]dioxol-5-yl)-5-hydroxybenzoic acid 3-(Benzo[d][1,3]dioxol-5-yl)-5-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) 2.98 4.27 -49.51 1 5 -1 79 257.221 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: YB-0478 YB-0478

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) 3.53 5.19 -51.89 1 5 -1 79 257.221 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: YB-0479 YB-0479

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) 3.29 7.19 -42.55 0 4 -1 59 259.212 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: YB-0482 YB-0482

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) 3.62 7.36 -46.21 0 4 -1 59 259.212 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: YB-0483 YB-0483

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) 3.29 7.16 -53.22 0 4 -1 59 259.212 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: YB-0484 YB-0484

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) 3.29 7.16 -52.34 0 4 -1 59 259.212 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: YB-0485 YB-0485

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) 3.62 7.19 -45.46 0 4 -1 59 259.212 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: YB-0486 YB-0486

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) 3.26 7.37 -56.42 0 4 -1 59 259.212 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: YB-0487 YB-0487

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) 3.52 6.75 -48.73 0 5 -1 68 271.248 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: YB-0488 YB-0488

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) 3.58 7.5 -51.75 0 5 -1 68 271.248 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(Benzo[d][1,3]dioxol-5-yl)-5-methoxybenzoic acid 3-(Benzo[d][1,3]dioxol-5-yl)-5-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) 3.52 6.41 -52.54 0 5 -1 68 271.248 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: YB-0491 YB-0491

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) 3.60 7.22 -56.45 0 5 -1 68 271.248 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: YB-0492 YB-0492

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) 3.80 7.52 -48.5 0 4 -1 59 275.667 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: YB-0493 YB-0493

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) 3.80 7.52 -49.21 0 4 -1 59 275.667 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: YB-0494 YB-0494

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) 4.14 7.63 -45.53 0 4 -1 59 275.667 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: YB-0495 YB-0495

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) 3.80 7.63 -43.05 0 4 -1 59 275.667 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: YB-0496 YB-0496

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) 3.78 7.79 -53.01 0 4 -1 59 275.667 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(Benzo[d][1,3]dioxol-5-yl)-5-(trifluoromethyl)benzoic acid 3-(Benzo[d][1,3]dioxol-5-yl)-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) 4.36 8.12 -48.73 0 4 -1 59 309.219 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(1,3-benzodioxol-5-yl)phenyl]methyl]propanamide N-[[2-(1,3-benzodioxol-5-yl)phen…

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) 3.33 6.39 -9.5 1 4 0 48 283.327 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-[4-(1,3-benzodioxol-5-yl)phenyl]ethyl]acetamide N-[(1S)-1-[4-(1,3-benzodioxol-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) 3.10 6.42 -12.35 1 4 0 48 283.327 3 ↓

Parameters Provided:

ring.id = 8523
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 = 8523 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=8523&filter.purchasability=annotated

Embed Link to Results