UCSF

ZINC25446279

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 34 Yes

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) 3.54 6.74 -24.86 2 8 0 89 469.582 11
Lo Low (pH 4.5-6) 3.54 8.83 -67.74 3 8 1 90 470.59 11

Activity (Go SEA)

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