UCSF

ZINC43555232

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2010 16 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) 3.19 7.77 -32.97 1 2 1 17 259.826 4
Mid Mid (pH 6-8) 3.19 5.59 -4.38 0 2 0 16 258.818 4

Activity (Go SEA)

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