UCSF

ZINC27057925

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2009 25 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) 2.98 6.37 -81.69 1 6 -1 95 341.387 5
Lo Low (pH 4.5-6) 2.98 5.24 -27.83 2 6 0 92 342.395 5

Activity (Go SEA)

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