UCSF

ZINC22755082

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 28 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) 3.95 9.03 -8.46 1 6 0 60 412.958 10
Mid Mid (pH 6-8) 3.95 9.46 -42.65 2 6 1 61 413.966 10

Activity (Go SEA)

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