UCSF

ZINC33286082

Substance Information

In ZINC since Heavy atoms Benign functionality
May 28th, 2009 24 No

Download: MOL2 SDF SMILES Flexibase

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) 5.37 8.79 -9.8 1 4 0 48 357.866 3
Hi High (pH 8-9.5) 5.83 6.74 -52.22 0 4 -1 52 356.858 3
Hi High (pH 8-9.5) 5.83 7.35 -49.65 0 4 -1 52 356.858 3

Activity (Go SEA)

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