UCSF

ZINC39957326

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 14 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) 1.71 5.02 -41.78 0 4 -1 52 211.266 4
Mid Mid (pH 6-8) 0.98 5.32 -13.55 1 4 0 55 212.274 4

Activity (Go SEA)

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