UCSF

ZINC04784572

Substance Information

In ZINC since Heavy atoms Benign functionality
January 3rd, 2006 24 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) 1.46 5.78 -13.83 2 9 0 111 331.332 5
Lo Low (pH 4.5-6) 1.64 5.92 -35.37 3 9 1 116 332.34 5

Activity (Go SEA)

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