UCSF

ZINC40146797

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 34 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) 2.85 7.05 -15.46 2 8 0 105 485.606 9
Mid Mid (pH 6-8) 2.85 7.14 -45.91 1 8 -1 107 484.598 9

Activity (Go SEA)

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