UCSF

ZINC32504190

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2009 27 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) 2.56 4.81 -17.39 0 7 0 85 412.533 5
Lo Low (pH 4.5-6) 2.56 5.73 -40.77 1 7 1 87 413.541 5

Activity (Go SEA)

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