UCSF

ZINC19290324

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 29 Yes

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) -0.23 4.65 -20.56 0 9 0 101 412.475 4
Lo Low (pH 4.5-6) -0.23 5.09 -47.77 1 9 1 103 413.483 4

Activity (Go SEA)

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