UCSF

ZINC25386394

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 31 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) 4.10 10.48 -15.74 0 6 0 64 413.477 2
Lo Low (pH 4.5-6) 4.10 10.74 -29.13 1 6 1 66 414.485 2

Activity (Go SEA)

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