UCSF

ZINC43708666

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 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) 0.14 2.07 -56.25 4 6 1 84 296.734 2
Hi High (pH 8-9.5) 0.14 0.72 -11.77 3 6 0 79 295.726 2

Activity (Go SEA)

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