UCSF

ZINC43966894

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 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) 1.91 4.37 -34.46 2 3 1 29 229.388 7
Hi High (pH 8-9.5) 1.91 3.32 -2.09 1 3 0 24 228.38 7
Mid Mid (pH 6-8) 1.91 5.15 -28.37 2 3 1 26 229.388 7

Activity (Go SEA)

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