UCSF

ZINC43395905

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) -0.81 2.54 -122.78 4 4 2 62 241.36 2
Mid Mid (pH 6-8) -0.81 2.11 -70.79 3 4 1 61 240.352 2

Activity (Go SEA)

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