UCSF

ZINC25516478

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 29 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) 1.25 6.29 -31.18 2 7 0 82 398.438 4
Mid Mid (pH 6-8) 1.25 8.2 -61.2 3 7 1 83 399.446 4

Activity (Go SEA)

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