UCSF

ZINC05874785

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 26 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) 5.96 12.05 -47.93 0 4 -1 57 379.848 4
Mid Mid (pH 6-8) 5.96 12.44 -17.39 1 4 0 55 380.856 4

Activity (Go SEA)

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