UCSF

ZINC38256539

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2010 30 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) 1.52 5.79 -61.77 0 8 -1 101 410.402 5
Lo Low (pH 4.5-6) 1.52 5.04 -14.78 1 8 0 98 411.41 5

Activity (Go SEA)

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