UCSF

ZINC43968444

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) 3.25 8.5 -109.11 3 2 2 21 228.424 6
Mid Mid (pH 6-8) 3.25 6.73 -32.02 2 2 1 20 227.416 6
Mid Mid (pH 6-8) 3.25 7.32 -32.56 2 2 1 16 227.416 6

Activity (Go SEA)

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