UCSF

ZINC05163482

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2006 31 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) 3.50 6.02 -12.82 3 8 0 123 416.437 6
Lo Low (pH 4.5-6) 3.50 6.29 -65.59 4 8 1 125 417.445 6

Activity (Go SEA)

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