UCSF

ZINC05043394

Substance Information

In ZINC since Heavy atoms Benign functionality
January 17th, 2006 25 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) -1.86 8.23 -28.94 3 7 1 93 338.391 2
Mid Mid (pH 6-8) 2.14 5.83 -12.25 0 5 0 48 339.819 4

Activity (Go SEA)

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