UCSF

ZINC39557573

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 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) 4.83 10.33 -12.63 1 5 0 59 352.397 2
Mid Mid (pH 6-8) 4.83 10.71 -26.83 2 5 1 61 353.405 2

Activity (Go SEA)

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