UCSF

ZINC05041817

Substance Information

In ZINC since Heavy atoms Benign functionality
January 17th, 2006 24 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) 3.82 5 -36.07 1 8 -1 124 395.189 5
Mid Mid (pH 6-8) 3.36 6.66 -20.32 2 8 0 121 396.197 5

Activity (Go SEA)

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