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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

42453376
42453376

Draw Identity 99% 90% 80% 70%

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 -5.83 -37.3 2 8 -1 126 274.278 2
Mid Mid (pH 6-8) -1.68 -4.1 -18.74 3 8 0 123 275.286 2
Mid Mid (pH 6-8) -1.22 -6.65 -53.93 2 8 -1 126 274.278 2

Analogs

42453376
42453376

Draw Identity 99% 90% 80% 70%

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 -5.78 -37.93 2 8 -1 126 274.278 2
Mid Mid (pH 6-8) -1.68 -4.04 -18.78 3 8 0 123 275.286 2
Mid Mid (pH 6-8) -1.22 -6.65 -55.13 2 8 -1 126 274.278 2

Analogs

Draw Identity 99% 90% 80% 70%

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) -1.71 -5.25 -64.01 4 8 0 134 274.302 2
Mid Mid (pH 6-8) -2.17 -3.51 -59.35 5 8 1 131 275.31 2
Mid Mid (pH 6-8) -1.71 -6.07 -72.57 4 8 0 134 274.302 2

Analogs

Draw Identity 99% 90% 80% 70%

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 -2.2 -59.16 3 8 0 123 316.383 5
Mid Mid (pH 6-8) -0.49 -0.29 -66.17 4 8 1 120 317.391 5

Analogs

Draw Identity 99% 90% 80% 70%

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 -2.3 -57.84 3 8 0 123 316.383 5
Mid Mid (pH 6-8) -0.49 -0.35 -63.8 4 8 1 120 317.391 5