UCSF

ZINC08817171

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 37 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) 6.26 16.09 -76.28 1 6 0 74 506.687 12
Mid Mid (pH 6-8) 5.67 2.92 -45.36 1 6 1 68 507.695 12

Activity (Go SEA)

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