UCSF

ZINC43604090

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2010 19 Yes

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) 0.39 2.84 -49.05 3 6 1 71 265.337 5
Mid Mid (pH 6-8) 0.39 3.19 -89.32 4 6 2 72 266.345 5

Activity (Go SEA)

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