UCSF

ZINC43447897

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 18 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) 3.37 8.74 -30.69 1 4 1 40 260.398 12
Mid Mid (pH 6-8) 3.37 6.91 -5.02 0 4 0 39 259.39 12

Activity (Go SEA)

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