UCSF

ZINC30604797

Substance Information

In ZINC since Heavy atoms Benign functionality
March 31st, 2009 24 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) 3.69 8.72 -16.97 2 5 0 71 340.452 3
Mid Mid (pH 6-8) 3.75 7.81 -47.39 1 5 -1 77 339.444 3

Activity (Go SEA)

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