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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) 2.53 7.17 -29.59 2 3 1 30 249.378 4
Hi High (pH 8-9.5) 2.53 4.94 -3.12 1 3 0 28 248.37 4
Mid Mid (pH 6-8) 2.53 8.21 -101.97 3 3 2 34 250.386 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) 2.53 7.35 -30.31 2 3 1 30 249.378 4
Hi High (pH 8-9.5) 2.53 5.1 -3.38 1 3 0 28 248.37 4
Mid Mid (pH 6-8) 2.53 6.07 -34.83 2 3 1 33 249.378 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) 2.53 7.13 -30.05 2 3 1 30 249.378 4
Hi High (pH 8-9.5) 2.53 4.88 -2.69 1 3 0 28 248.37 4
Mid Mid (pH 6-8) 2.53 8.09 -99.9 3 3 2 34 250.386 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) 2.53 7.04 -32.02 2 3 1 30 249.378 4
Hi High (pH 8-9.5) 2.53 4.79 -3.3 1 3 0 28 248.37 4
Mid Mid (pH 6-8) 2.53 7.9 -101.09 3 3 2 34 250.386 4