UCSF

ZINC34549409

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 30 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) 5.51 9.87 -12.49 0 4 0 43 412.48 5
Lo Low (pH 4.5-6) 5.51 11.46 -31.05 1 4 1 45 413.488 5

Activity (Go SEA)

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