UCSF

ZINC05175445

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 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) 2.82 7.31 -11.06 2 5 0 71 353.447 5
Hi High (pH 8-9.5) 1.92 6.07 -42.39 1 5 -1 73 352.439 5

Activity (Go SEA)

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