UCSF

ZINC69521291

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2011 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -0.12 5.55 -52.25 2 5 1 60 230.295 3
Mid Mid (pH 6-8) -0.12 4.39 -11.14 1 5 0 56 229.287 3

Activity (Go SEA)

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

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