UCSF

ZINC58139006

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2011 15 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) -0.03 2.33 -9 0 4 0 33 212.293 2
Mid Mid (pH 6-8) -0.03 4.61 -40.9 1 4 1 34 213.301 2

Activity (Go SEA)

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