UCSF

ZINC05277377

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2006 22 Yes

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) 2.48 3.64 -12.36 2 5 0 75 320.345 3
Mid Mid (pH 6-8) 2.48 3.72 -45.68 1 5 -1 77 319.337 3

Activity (Go SEA)

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