UCSF

ZINC86860394

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2013 14 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) -0.24 -0.36 -36.25 3 4 1 59 195.242 2
Mid Mid (pH 6-8) -0.24 -1.49 -6.26 2 4 0 54 194.234 2

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.