UCSF

ZINC43396485

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 17 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) 1.08 3.67 -11.69 3 4 0 60 251.355 4
Mid Mid (pH 6-8) 1.08 3.98 -38.32 4 4 1 61 252.363 4

Activity (Go SEA)

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