UCSF

ZINC05893388

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 12 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) -2.39 -0.74 -11.59 5 7 0 117 166.144 0
Mid Mid (pH 6-8) -1.37 -1.24 -57.33 6 7 1 117 167.152 1
Lo Low (pH 4.5-6) -2.39 -0.79 -33.32 6 7 1 119 167.152 0

Activity (Go SEA)

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

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