UCSF

ZINC06533813

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2006 19 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) 4.09 6.46 -8.89 1 3 0 45 250.301 1
Ref Reference (pH 7) 4.35 6.85 -26.37 2 3 1 43 251.309 2
Hi High (pH 8-9.5) 4.54 4.7 -48.45 0 3 -1 48 249.293 1
Hi High (pH 8-9.5) 4.54 4.18 -52.29 0 3 -1 48 249.293 1

Activity (Go SEA)

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