UCSF

ZINC43896523

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 16 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) 2.36 6.27 -108 3 3 2 30 230.396 6
Hi High (pH 8-9.5) 2.36 4.62 -33.63 2 3 1 29 229.388 6
Hi High (pH 8-9.5) 2.36 3.86 -0.65 1 3 0 24 228.38 6
Mid Mid (pH 6-8) 2.36 5.38 -31.35 2 3 1 26 229.388 6

Activity (Go SEA)

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