UCSF

ZINC22858721

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2008 44 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) 4.36 12.36 -56.66 5 10 1 122 581.708 11
Mid Mid (pH 6-8) 4.36 12.88 -115.92 6 10 2 124 582.716 11

Activity (Go SEA)

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