UCSF

ZINC05844020

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2006 19 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) 2.15 4.44 -6.77 1 5 0 66 260.293 3
Mid Mid (pH 6-8) 1.78 1.87 -42.29 0 5 -1 73 259.285 3

Activity (Go SEA)

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