UCSF

ZINC05064494

Substance Information

In ZINC since Heavy atoms Benign functionality
January 19th, 2006 16 Yes

CAS Number: 824944-25-4

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) 2.82 3.68 -8.77 0 4 0 59 260.076 4

Activity (Go SEA)

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