UCSF

ZINC04916967

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 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) 3.84 9.17 -9.95 2 5 0 60 348.468 7
Hi High (pH 8-9.5) 3.09 8.1 -38.2 1 5 -1 66 347.46 6

Activity (Go SEA)

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