UCSF

ZINC49168807

Substance Information

In ZINC since Heavy atoms Benign functionality
September 24th, 2010 21 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) 1.19 5.91 -44.72 2 5 1 49 286.403 2
Hi High (pH 8-9.5) 1.19 7.77 -93.32 2 5 1 49 286.403 2
Mid Mid (pH 6-8) 1.19 8.38 -110.43 3 5 2 50 287.411 2

Activity (Go SEA)

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