UCSF

ZINC43895644

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) 2.05 6.02 -107.53 3 3 2 30 230.396 5
Hi High (pH 8-9.5) 2.05 3.86 -0.64 1 3 0 24 228.38 5
Hi High (pH 8-9.5) 2.05 4.63 -33.63 2 3 1 29 229.388 5
Mid Mid (pH 6-8) 2.05 4.86 -31.29 2 3 1 26 229.388 5

Activity (Go SEA)

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