UCSF

ZINC00055261

Annotations

Vendors

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 4.81 -7.13 0 4 0 59 139.11 2
Hi High (pH 8-9.5) 3.60 6.74 -35.58 4 9 1 120 480.568 7

Vendor Notes

Note Type Comments Provided By
MP 71 - 73 Enamine Building Blocks
MP 71...73 Enamine Building Blocks
MP 72 - 75 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 98% Fluorochem

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.