UCSF

ZINC06694663

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2006 28 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) 3.71 0.5 -12.84 1 5 0 70 393.826 5
Mid Mid (pH 6-8) 3.13 0.32 -20.98 0 5 0 67 393.826 5

Activity (Go SEA)

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