UCSF

ZINC44406076

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2010 36 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) 7.57 14.57 -183.34 6 6 3 75 513.876 14
Mid Mid (pH 6-8) 7.57 12.06 -85.58 5 6 2 74 512.868 14

Activity (Go SEA)

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