UCSF

ZINC05205826

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 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) 3.28 6.93 -16.77 0 5 0 67 378.519 3
Lo Low (pH 4.5-6) 3.28 7.85 -37.47 1 5 1 68 379.527 3

Activity (Go SEA)

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