UCSF

ZINC55226020

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2010 27 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) 1.53 6.45 -37.15 2 7 1 70 376.525 10
Lo Low (pH 4.5-6) 1.53 7.17 -82.55 3 7 2 71 377.533 10

Activity (Go SEA)

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