UCSF

ZINC33679125

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2009 37 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) 4.65 10.2 -12.69 1 8 0 89 519.623 9
Lo Low (pH 4.5-6) 0.98 11.14 -38.88 2 8 1 89 520.631 10

Activity (Go SEA)

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