UCSF

ZINC52292636

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 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) 2.44 5.81 -35.77 4 3 1 52 236.364 3
Mid Mid (pH 6-8) 2.44 5.52 -10.96 3 3 0 51 235.356 3

Activity (Go SEA)

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