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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%

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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 5.47 -48.79 0 6 -1 66 377.515 4
Mid Mid (pH 6-8) 3.36 4.76 -6.83 1 6 0 63 378.523 4
Lo Low (pH 4.5-6) 3.36 7 -34.25 2 6 1 64 379.531 4

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) 3.36 5.46 -48.72 0 6 -1 66 377.515 4
Mid Mid (pH 6-8) 3.36 4.75 -6.89 1 6 0 63 378.523 4
Lo Low (pH 4.5-6) 3.36 7 -34.29 2 6 1 64 379.531 4

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) 3.36 5.75 -48.57 0 6 -1 66 377.515 4
Mid Mid (pH 6-8) 3.36 5.04 -6.64 1 6 0 63 378.523 4
Lo Low (pH 4.5-6) 3.36 6.97 -33.9 2 6 1 64 379.531 4

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) 3.36 5.74 -48.71 0 6 -1 66 377.515 4
Mid Mid (pH 6-8) 3.36 5.04 -6.71 1 6 0 63 378.523 4
Lo Low (pH 4.5-6) 3.36 6.97 -33.95 2 6 1 64 379.531 4