UCSF

ZINC04879010

Substance Information

In ZINC since Heavy atoms Benign functionality
January 9th, 2006 17 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) 2.38 0.77 -6.31 1 3 0 54 228.247 2
Mid Mid (pH 6-8) 1.50 0.54 -9.27 0 3 0 51 228.247 2
Mid Mid (pH 6-8) 2.38 0.75 -23.62 1 3 0 54 228.247 2

Activity (Go SEA)

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