UCSF

ZINC05522833

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2006 24 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) 3.83 8.86 -15 2 5 0 71 358.854 6
Hi High (pH 8-9.5) 3.83 8.72 -48.38 1 5 -1 69 357.846 6

Activity (Go SEA)

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