UCSF

ZINC53659205

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 16 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) 0.33 3.62 -110.04 3 4 2 55 250.408 6
Mid Mid (pH 6-8) 0.33 1.39 -48.33 2 4 1 54 249.4 6

Activity (Go SEA)

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