UCSF

ZINC49539744

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 29 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) -0.80 7.81 -31.87 4 8 1 110 415.543 8
Mid Mid (pH 6-8) 1.25 7.77 -14.86 3 8 0 109 414.535 8

Activity (Go SEA)

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