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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) 2.54 9.23 -41.68 1 5 1 48 341.41 4
Hi High (pH 8-9.5) 2.54 8.81 -11.63 0 5 0 47 340.402 4
Lo Low (pH 4.5-6) 2.54 11.46 -120.1 2 5 2 50 342.418 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) 2.80 9.97 -43.81 1 5 1 48 359.4 5
Hi High (pH 8-9.5) 2.80 9.53 -11.72 0 5 0 47 358.392 5
Mid Mid (pH 6-8) 2.80 10.95 -51.43 1 5 1 48 359.4 5