UCSF

ZINC04736568

Substance Information

In ZINC since Heavy atoms Benign functionality
January 2nd, 2006 27 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) 1.32 5.99 -26.68 2 8 0 101 404.521 6
Mid Mid (pH 6-8) 1.32 7.12 -45.49 3 8 1 103 405.529 6

Activity (Go SEA)

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