UCSF

ZINC54171752

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2010 20 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) 2.48 5.41 -6.06 0 4 0 33 296.798 5
Mid Mid (pH 6-8) 2.48 7.67 -40.94 1 4 1 34 297.806 5

Activity (Go SEA)

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