UCSF

ZINC40524833

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2010 19 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) 0.98 6.92 -69.38 2 6 0 77 269.345 2
Mid Mid (pH 6-8) 0.98 4.57 -47.61 1 6 -1 76 268.337 2

Activity (Go SEA)

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