UCSF

ZINC34360724

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 18 No

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) 2.23 8.04 -47.54 1 3 1 23 270.78 5
Mid Mid (pH 6-8) 2.23 5.77 -7.66 0 3 0 22 269.772 5

Activity (Go SEA)

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