UCSF

ZINC69727000

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 16 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) 1.16 3.66 -43.47 3 3 1 40 227.372 3
Mid Mid (pH 6-8) 1.16 5.01 -25.75 3 3 1 40 227.372 3
Mid Mid (pH 6-8) 1.16 5.46 -118.62 4 3 2 41 228.38 3

Activity (Go SEA)

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

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