UCSF

ZINC43059109

Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 2010 29 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) 1.47 4.84 -38.34 4 9 1 105 404.491 9
Mid Mid (pH 6-8) 1.47 7.12 -97.76 5 9 2 106 405.499 9
Mid Mid (pH 6-8) 1.47 4.44 -12.81 3 9 0 104 403.483 9
Mid Mid (pH 6-8) 1.47 6.71 -53.62 4 9 1 105 404.491 9

Activity (Go SEA)

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