UCSF

ZINC13544766

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 17 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) 2.19 0.2 -45.39 1 6 -1 86 248.653 3
Mid Mid (pH 6-8) 0.83 0.88 -34.46 1 6 -1 89 248.653 2
Mid Mid (pH 6-8) 0.83 0.87 -38 1 6 -1 89 248.653 2
Lo Low (pH 4.5-6) 1.73 1.9 -18.35 2 6 0 83 249.661 3

Activity (Go SEA)

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