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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%

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) -1.18 3.01 -26.43 2 8 0 114 433.464 5
Mid Mid (pH 6-8) -1.18 2.23 -46.01 3 8 1 111 434.472 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) -0.26 3.85 -24.44 2 7 0 97 419.481 4
Mid Mid (pH 6-8) -0.26 3.07 -42.96 3 7 1 94 420.489 4
Mid Mid (pH 6-8) -0.26 3.85 -39.77 3 7 1 94 420.489 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) -0.63 3.19 -24.4 2 7 0 97 405.454 4
Mid Mid (pH 6-8) -0.63 2.41 -42.86 3 7 1 94 406.462 4
Mid Mid (pH 6-8) -0.63 3.2 -39.74 3 7 1 94 406.462 4