UCSF

ZINC20550253

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 20 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) 4.03 9.45 -39.02 2 2 1 16 354.337 8
Mid Mid (pH 6-8) 4.03 10.87 -117.39 3 2 2 21 355.345 8

Activity (Go SEA)

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