UCSF

ZINC65502840

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 26 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.77 3.97 -12.68 1 8 0 83 370.848 4
Mid Mid (pH 6-8) 2.77 4.77 -37.35 2 8 1 84 371.856 4

Activity (Go SEA)

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

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