UCSF

ZINC42442511

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) -0.52 1.15 -98.37 4 5 2 60 236.356 11
Hi High (pH 8-9.5) -0.52 -2.77 -4.53 2 5 0 54 234.34 11
Mid Mid (pH 6-8) -0.52 -1.04 -39.61 3 5 1 59 235.348 11
Mid Mid (pH 6-8) -0.52 1.67 -38.01 3 5 1 63 235.348 11

Activity (Go SEA)

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