UCSF

ZINC53623830

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 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) -0.55 -2.77 -69 2 6 1 90 278.379 5
Mid Mid (pH 6-8) -0.55 -3.94 -17.42 1 6 0 85 277.371 5

Activity (Go SEA)

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