UCSF

ZINC55529329

Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2010 23 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.48 8.15 -38.05 0 5 -1 67 329.332 3
Mid Mid (pH 6-8) 3.02 9.41 -12.15 1 5 0 64 330.34 3

Activity (Go SEA)

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

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