UCSF

ZINC09046769

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2007 34 No

Other Names:

MFCD03498858

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) 4.08 -0.37 -46.31 2 7 1 80 465.57 8
Mid Mid (pH 6-8) 3.05 -0.55 -48.83 1 7 1 77 465.57 9

Activity (Go SEA)

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

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